3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide

C18H16N4O3S — CID 113147040

IUPAC3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H16N4O3S/c1-26(24,25)22(17-7-5-14(12-19)6-8-17)10-9-18(23)21-16-4-2-3-15(11-16)13-20/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyGXEXFLYUXMARAV-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.22
Rot. Bonds6

About 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide

3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide (PubChem CID 113147040) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
PubChem CID113147040
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(C#N)cc1
InChIInChI=1S/C18H16N4O3S/c1-26(24,25)22(17-7-5-14(12-19)6-8-17)10-9-18(23)21-16-4-2-3-15(11-16)13-20/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyGXEXFLYUXMARAV-UHFFFAOYSA-N
XLogP2.22
TPSA114.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
CID 113140951
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095
N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide (CID 113147040) is 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1cccc(C#N)c1)c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide?
The InChIKey is GXEXFLYUXMARAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-26(24,25)22(17-7-5-14(12-19)6-8-17)10-9-18(23)21-16-4-2-3-15(11-16)13-20/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide?
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide has a molecular weight of 368.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 113147040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).