N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H20N2O3S — CID 966803

IUPACN-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19(2)13-17(20)18-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyGXOUOOHVZCHJPV-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.93
Rot. Bonds6

About N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 966803) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID966803
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19(2)13-17(20)18-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20)
InChIKeyGXOUOOHVZCHJPV-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N,N-dimethyl-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzamide
CID 46415351
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39689019
N-benzyl-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 26217755
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 966803) is N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is GXOUOOHVZCHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-8-10-16(11-9-14)23(21,22)19(2)13-17(20)18-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 966803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).