N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide

C29H27NO3S — CID 19210212

IUPACN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C29H27NO3S/c1-22-12-11-19-28(23(22)2)30(34(32,33)26-16-7-4-8-17-26)29(31)27-18-10-9-15-25(27)21-20-24-13-5-3-6-14-24/h3-19H,20-21H2,1-2H3
InChIKeyBCRXOVTTYFLKPC-UHFFFAOYSA-N
MW469.61 g/mol
LogP6.12
Rot. Bonds7

About N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide (PubChem CID 19210212) has the molecular formula C29H27NO3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
PubChem CID19210212
Molecular FormulaC29H27NO3S
Molecular Weight469.61 g/mol
Exact Mass469.17
IUPAC NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C29H27NO3S/c1-22-12-11-19-28(23(22)2)30(34(32,33)26-16-7-4-8-17-26)29(31)27-18-10-9-15-25(27)21-20-24-13-5-3-6-14-24/h3-19H,20-21H2,1-2H3
InChIKeyBCRXOVTTYFLKPC-UHFFFAOYSA-N
XLogP6.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 19219288
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
CID 19210204
3-[N-(benzenesulfonyl)-2,3-dimethylanilino]propanoic acid
CID 50891386
N-(2,3-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126385130
(2S)-2-[[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100632713
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide (CID 19210212) is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide is Cc1cccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide?
The InChIKey is BCRXOVTTYFLKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3S/c1-22-12-11-19-28(23(22)2)30(34(32,33)26-16-7-4-8-17-26)29(31)27-18-10-9-15-25(27)21-20-24-13-5-3-6-14-24/h3-19H,20-21H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide?
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide has a molecular weight of 469.61 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 19210212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).