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

C17H17N3O3S — CID 113153763

IUPACN-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17N3O3S/c1-13-5-3-8-16(9-13)20(24(2,22)23)12-17(21)19-15-7-4-6-14(10-15)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyHFVQCWLRSWNZMO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.27
Rot. Bonds5

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

N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153763) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID113153763
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17N3O3S/c1-13-5-3-8-16(9-13)20(24(2,22)23)12-17(21)19-15-7-4-6-14(10-15)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyHFVQCWLRSWNZMO-UHFFFAOYSA-N
XLogP2.27
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
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-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1075752
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-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 113153763) is N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2cccc(C#N)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is HFVQCWLRSWNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-5-3-8-16(9-13)20(24(2,22)23)12-17(21)19-15-7-4-6-14(10-15)11-18/h3-10H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).