3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide

C23H23NO4S — CID 132558243

IUPAC3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
SMILESCOc1ccc(C(C)(CS(=O)(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-23(18-13-15-20(28-2)16-14-18,22(25)24-19-9-5-3-6-10-19)17-29(26,27)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,24,25)
InChIKeyPTYPSFWSVHVOII-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.07
Rot. Bonds7

About 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide

3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide (PubChem CID 132558243) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
PubChem CID132558243
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
SMILESCOc1ccc(C(C)(CS(=O)(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-23(18-13-15-20(28-2)16-14-18,22(25)24-19-9-5-3-6-10-19)17-29(26,27)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,24,25)
InChIKeyPTYPSFWSVHVOII-UHFFFAOYSA-N
XLogP4.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
CID 155510283
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-(3-acetamidophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438763
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
(1S,2R)-2-(benzenesulfonylmethyl)-1-(4-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 102177081

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide (CID 132558243) is 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide is COc1ccc(C(C)(CS(=O)(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide?
The InChIKey is PTYPSFWSVHVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-23(18-13-15-20(28-2)16-14-18,22(25)24-19-9-5-3-6-10-19)17-29(26,27)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,24,25).
What are the key properties of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide?
3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 132558243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).