3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide

C18H19N3O4S — CID 113146908

IUPAC3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-25-17-9-4-3-8-16(17)20-18(22)10-11-21(26(2,23)24)15-7-5-6-14(12-15)13-19/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyFYNAQNFRDSSGLO-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.36
Rot. Bonds7

About 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide

3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 113146908) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID113146908
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-25-17-9-4-3-8-16(17)20-18(22)10-11-21(26(2,23)24)15-7-5-6-14(12-15)13-19/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyFYNAQNFRDSSGLO-UHFFFAOYSA-N
XLogP2.36
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144770
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113143842
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide (CID 113146908) is 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN(c1cccc(C#N)c1)S(C)(=O)=O.
What is the InChIKey of 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is FYNAQNFRDSSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-17-9-4-3-8-16(17)20-18(22)10-11-21(26(2,23)24)15-7-5-6-14(12-15)13-19/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 373.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 113146908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).