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N67 : Summary

Code

N67

One-letter code

X

Molecule name

N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
OpenEye OEToolkits 2.0.6 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea

Formula

C11 H14 N4 O4 S2

Formal charge

0

Molecular weight

330.383 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O
SMILES CACTVS 3.385 CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC
Canonical SMILES CACTVS 3.385 CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC

IUPAC InChI

InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)

IUPAC InChI key

PHSRIBPDBMYXMN-UHFFFAOYSA-N
N67

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-03

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned