2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C24H25ClN2O4S — CID 92680132

IUPAC2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-23(17-7-10-19(31-3)11-8-17)26-24(28)21-15-18(9-14-22(21)25)27-32(29,30)20-12-5-16(2)6-13-20/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyZADHBTBVGRNZAZ-HSZRJFAPSA-N
MW472.99 g/mol
LogP5.34
Rot. Bonds8

About 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92680132) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92680132
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-23(17-7-10-19(31-3)11-8-17)26-24(28)21-15-18(9-14-22(21)25)27-32(29,30)20-12-5-16(2)6-13-20/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyZADHBTBVGRNZAZ-HSZRJFAPSA-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

2-chloro-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638516
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638531
2-chloro-5-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 38000460
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43915949
3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99952414
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191557
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651
2-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30397953
5-methoxy-2-[(4-methylphenyl)sulfonylamino]-N-[1-(6-methyl-3-pyridinyl)propyl]benzamide
CID 58892006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 92680132) is 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZADHBTBVGRNZAZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-4-23(17-7-10-19(31-3)11-8-17)26-24(28)21-15-18(9-14-22(21)25)27-32(29,30)20-12-5-16(2)6-13-20/h5-15,23,27H,4H2,1-3H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(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 2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).