2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide

C21H19NO3S — CID 3265558

IUPAC2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-17-12-14-20(15-13-17)26(24,25)16-21(23)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyQORKENWDLIQQFY-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide

2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide (PubChem CID 3265558) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
PubChem CID3265558
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-17-12-14-20(15-13-17)26(24,25)16-21(23)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3
InChIKeyQORKENWDLIQQFY-UHFFFAOYSA-N
XLogP4.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
CID 17309418
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
phenyl 2-(4-methylphenyl)sulfonylacetate
CID 102223782
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
1-[2-(benzenesulfonyl)prop-2-enylsulfonyl]-4-methylbenzene
CID 40578886
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
(3S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylbutan-2-one
CID 11438530
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
CID 23407691

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide (CID 3265558) is 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide is Cc1ccc(S(=O)(=O)CC(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide?
The InChIKey is QORKENWDLIQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-17-12-14-20(15-13-17)26(24,25)16-21(23)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide?
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide has a molecular weight of 365.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide is sourced from PubChem (CID 3265558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).