N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C17H17N3O4S — CID 113155193

IUPACN-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17N3O4S/c1-24-16-8-4-7-15(10-16)20(25(2,22)23)12-17(21)19-14-6-3-5-13(9-14)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyGPRUEAKSDCJJOV-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.97
Rot. Bonds6

About N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113155193) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID113155193
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17N3O4S/c1-24-16-8-4-7-15(10-16)20(25(2,22)23)12-17(21)19-14-6-3-5-13(9-14)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyGPRUEAKSDCJJOV-UHFFFAOYSA-N
XLogP1.97
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 113155193) is N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is GPRUEAKSDCJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-16-8-4-7-15(10-16)20(25(2,22)23)12-17(21)19-14-6-3-5-13(9-14)11-18/h3-10H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113155193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).