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

C18H19N3O3S — CID 113141999

IUPACN-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-3-9-17(10-4-14)21(25(2,23)24)12-11-18(22)20-16-7-5-15(13-19)6-8-16/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDDNHCVHDQAUYJO-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.66
Rot. Bonds6

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

N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141999) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141999
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-3-9-17(10-4-14)21(25(2,23)24)12-11-18(22)20-16-7-5-15(13-19)6-8-16/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDDNHCVHDQAUYJO-UHFFFAOYSA-N
XLogP2.66
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide (CID 113141999) is N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(CCC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is DDNHCVHDQAUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-3-9-17(10-4-14)21(25(2,23)24)12-11-18(22)20-16-7-5-15(13-19)6-8-16/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide?
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 357.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).