N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C17H16N2O4S — CID 41323836

IUPACN-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)11-10-17(20)19-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKGBKLLQWKUERIW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.37
Rot. Bonds6

About N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 41323836) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID41323836
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)11-10-17(20)19-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyKGBKLLQWKUERIW-UHFFFAOYSA-N
XLogP2.37
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144770
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 64690595
N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3360808
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 41323836) is N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is KGBKLLQWKUERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)11-10-17(20)19-16-5-3-2-4-13(16)12-18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 41323836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).