2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide

C18H19N3O3S — CID 38943951

IUPAC2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)20-18(22)11-14-3-7-16(8-4-14)21-25(23,24)17-9-5-15(12-19)6-10-17/h3-10,13,21H,11H2,1-2H3,(H,20,22)
InChIKeyDNEJMAGPNRHTTK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.43
Rot. Bonds6

About 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide

2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide (PubChem CID 38943951) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
PubChem CID38943951
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13(2)20-18(22)11-14-3-7-16(8-4-14)21-25(23,24)17-9-5-15(12-19)6-10-17/h3-10,13,21H,11H2,1-2H3,(H,20,22)
InChIKeyDNEJMAGPNRHTTK-UHFFFAOYSA-N
XLogP2.43
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide 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-[4-[(4-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 39342828
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
(4-cyanophenyl)methyl 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2368222
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide (CID 38943951) is 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is DNEJMAGPNRHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(2)20-18(22)11-14-3-7-16(8-4-14)21-25(23,24)17-9-5-15(12-19)6-10-17/h3-10,13,21H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide?
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 357.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 38943951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).