3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C24H25ClN2O3S — CID 93486433

IUPAC3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-22(18-9-5-16(2)6-10-18)26-24(28)19-11-14-23(21(25)15-19)27-31(29,30)20-12-7-17(3)8-13-20/h5-15,22,27H,4H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyLOONWQKEZHTJCG-JOCHJYFZSA-N
MW457.00 g/mol
LogP5.64
Rot. Bonds7

About 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 93486433) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID93486433
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-22(18-9-5-16(2)6-10-18)26-24(28)19-11-14-23(21(25)15-19)27-31(29,30)20-12-7-17(3)8-13-20/h5-15,22,27H,4H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyLOONWQKEZHTJCG-JOCHJYFZSA-N
XLogP5.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548932
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548940
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 93486433) is 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LOONWQKEZHTJCG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-4-22(18-9-5-16(2)6-10-18)26-24(28)19-11-14-23(21(25)15-19)27-31(29,30)20-12-7-17(3)8-13-20/h5-15,22,27H,4H2,1-3H3,(H,26,28)/t22-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 457.00 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 93486433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).