2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide

C11H13N3O3S — CID 9356240

IUPAC2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H13N3O3S/c1-13-11(15)8-14(2)18(16,17)10-6-4-3-5-9(10)7-12/h3-6H,8H2,1-2H3,(H,13,15)
InChIKeyXLNHOAUIMAOWTF-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.08
Rot. Bonds4

About 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 9356240) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID9356240
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H13N3O3S/c1-13-11(15)8-14(2)18(16,17)10-6-4-3-5-9(10)7-12/h3-6H,8H2,1-2H3,(H,13,15)
InChIKeyXLNHOAUIMAOWTF-UHFFFAOYSA-N
XLogP-0.08
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718
ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
(6-bromonaphthalen-2-yl) 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 36704414
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 9356240) is 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is XLNHOAUIMAOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-13-11(15)8-14(2)18(16,17)10-6-4-3-5-9(10)7-12/h3-6H,8H2,1-2H3,(H,13,15).
What are the key properties of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 267.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 9356240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).