2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide

C17H17N3O3S — CID 99621516

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(12-14-6-3-2-4-7-14)13-17(21)19-16-9-5-8-15(10-16)11-18/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyDYBBVVZXSVLFFS-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.96
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 99621516) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID99621516
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(12-14-6-3-2-4-7-14)13-17(21)19-16-9-5-8-15(10-16)11-18/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyDYBBVVZXSVLFFS-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide (CID 99621516) is 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is DYBBVVZXSVLFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)20(12-14-6-3-2-4-7-14)13-17(21)19-16-9-5-8-15(10-16)11-18/h2-10H,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 99621516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).