N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide

C28H25NO3S — CID 19210199

IUPACN-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25NO3S/c1-22-16-20-25(21-17-22)29(33(31,32)26-13-6-3-7-14-26)28(30)27-15-9-8-12-24(27)19-18-23-10-4-2-5-11-23/h2-17,20-21H,18-19H2,1H3
InChIKeyNIESBFMSSLKSNZ-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.82
Rot. Bonds7

About N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide

N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide (PubChem CID 19210199) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
PubChem CID19210199
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC NameN-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25NO3S/c1-22-16-20-25(21-17-22)29(33(31,32)26-13-6-3-7-14-26)28(30)27-15-9-8-12-24(27)19-18-23-10-4-2-5-11-23/h2-17,20-21H,18-19H2,1H3
InChIKeyNIESBFMSSLKSNZ-UHFFFAOYSA-N
XLogP5.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19210212
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
2-[2-[4-(4-methyl-N-sulfinoanilino)phenyl]ethyl]benzoic acid
CID 68688661
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide (CID 19210199) is N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide is Cc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide?
The InChIKey is NIESBFMSSLKSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c1-22-16-20-25(21-17-22)29(33(31,32)26-13-6-3-7-14-26)28(30)27-15-9-8-12-24(27)19-18-23-10-4-2-5-11-23/h2-17,20-21H,18-19H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide?
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide has a molecular weight of 455.58 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 19210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).