2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C25H27ClN2O4S — CID 100638531

IUPAC2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-5-23(18-8-13-24(32-4)17(3)14-18)27-25(29)21-15-19(9-12-22(21)26)28-33(30,31)20-10-6-16(2)7-11-20/h6-15,23,28H,5H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyLISJQOJLGRRPSH-QHCPKHFHSA-N
MW487.02 g/mol
LogP5.65
Rot. Bonds8

About 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 100638531) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID100638531
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-5-23(18-8-13-24(32-4)17(3)14-18)27-25(29)21-15-19(9-12-22(21)26)28-33(30,31)20-10-6-16(2)7-11-20/h6-15,23,28H,5H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyLISJQOJLGRRPSH-QHCPKHFHSA-N
XLogP5.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.65
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-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197
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
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99952414
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191557
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133262289
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 100638531) is 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LISJQOJLGRRPSH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-5-23(18-8-13-24(32-4)17(3)14-18)27-25(29)21-15-19(9-12-22(21)26)28-33(30,31)20-10-6-16(2)7-11-20/h6-15,23,28H,5H2,1-4H3,(H,27,29)/t23-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 487.02 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 100638531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).