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

C24H25ClN2O4S — CID 38002730

IUPAC3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-22(17-7-10-19(31-3)11-8-17)26-24(28)18-9-14-23(21(25)15-18)27-32(29,30)20-12-5-16(2)6-13-20/h5-15,22,27H,4H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyNQNHSZCYFNQUOG-JOCHJYFZSA-N
MW472.99 g/mol
LogP5.34
Rot. Bonds8

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

3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 38002730) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID38002730
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-22(17-7-10-19(31-3)11-8-17)26-24(28)18-9-14-23(21(25)15-18)27-32(29,30)20-12-5-16(2)6-13-20/h5-15,22,27H,4H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyNQNHSZCYFNQUOG-JOCHJYFZSA-N
XLogP5.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548940
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 100548932
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
5-methoxy-2-[(4-methylphenyl)sulfonylamino]-N-[1-(6-methyl-3-pyridinyl)propyl]benzamide
CID 58892006
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 38002730) is 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is NQNHSZCYFNQUOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-4-22(17-7-10-19(31-3)11-8-17)26-24(28)18-9-14-23(21(25)15-18)27-32(29,30)20-12-5-16(2)6-13-20/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-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 472.99 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 38002730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).