N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide

C29H27NO4S — CID 19210204

IUPACN-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H27NO4S/c1-22-12-20-27(21-13-22)35(32,33)30(25-16-18-26(34-2)19-17-25)29(31)28-11-7-6-10-24(28)15-14-23-8-4-3-5-9-23/h3-13,16-21H,14-15H2,1-2H3
InChIKeyHOSNIBMDMHQDSV-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.82
Rot. Bonds8

About N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide

N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide (PubChem CID 19210204) has the molecular formula C29H27NO4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
PubChem CID19210204
Molecular FormulaC29H27NO4S
Molecular Weight485.61 g/mol
Exact Mass485.17
IUPAC NameN-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H27NO4S/c1-22-12-20-27(21-13-22)35(32,33)30(25-16-18-26(34-2)19-17-25)29(31)28-11-7-6-10-24(28)15-14-23-8-4-3-5-9-23/h3-13,16-21H,14-15H2,1-2H3
InChIKeyHOSNIBMDMHQDSV-UHFFFAOYSA-N
XLogP5.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-(4-ethylphenyl)-2-methoxy-N-(4-methylphenyl)sulfonylbenzamide
CID 19210849
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19210212
N-(4-ethoxyphenyl)-2-iodo-N-(4-methylphenyl)sulfonylbenzamide
CID 19219342
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 19210850
N-(benzenesulfonyl)-2-bromo-N-(4-methylphenyl)benzamide
CID 19210740
(2S)-2-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100743176

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide (CID 19210204) is N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide is COc1ccc(N(C(=O)c2ccccc2CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide?
The InChIKey is HOSNIBMDMHQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4S/c1-22-12-20-27(21-13-22)35(32,33)30(25-16-18-26(34-2)19-17-25)29(31)28-11-7-6-10-24(28)15-14-23-8-4-3-5-9-23/h3-13,16-21H,14-15H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide?
N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide has a molecular weight of 485.61 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 19210204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).