N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide

C17H17N3O3S — CID 113157361

IUPACN-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyGAKBJYCIKCZLIC-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.64
Rot. Bonds6

About N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide

N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide (PubChem CID 113157361) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
PubChem CID113157361
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyGAKBJYCIKCZLIC-UHFFFAOYSA-N
XLogP1.64
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230
N-benzyl-2-(4-cyano-N-methylanilino)acetamide
CID 62982094
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
CID 113072304
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896165
N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide (CID 113157361) is N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide?
The InChIKey is GAKBJYCIKCZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).