2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide

C10H12N4O3S — CID 64899773

IUPAC2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C10H12N4O3S/c1-13-10(15)6-14-18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4,14H,6,12H2,1H3,(H,13,15)
InChIKeyWXSSMQASXRVPRK-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.84
Rot. Bonds4

About 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide

2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide (PubChem CID 64899773) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
PubChem CID64899773
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C10H12N4O3S/c1-13-10(15)6-14-18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4,14H,6,12H2,1H3,(H,13,15)
InChIKeyWXSSMQASXRVPRK-UHFFFAOYSA-N
XLogP-0.84
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-amino-4-cyanophenyl)sulfonylamino]-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-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
CID 64899777
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
CID 43518183
2-amino-4-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 64900444
2-amino-4-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413667
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 64900206

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide (CID 64899773) is 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is WXSSMQASXRVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-13-10(15)6-14-18(16,17)9-3-2-7(5-11)4-8(9)12/h2-4,14H,6,12H2,1H3,(H,13,15).
What are the key properties of 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide?
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 268.30 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 64899773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).