2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide

C25H27ClN2O4S — CID 4132778

IUPAC2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)CCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18(9-10-19-7-5-4-6-8-19)27-25(29)23-17-22(15-16-24(23)26)33(30,31)28(2)20-11-13-21(32-3)14-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,27,29)
InChIKeyGKSNARQWTPXERL-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.92
Rot. Bonds9

About 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide

2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 4132778) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID4132778
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)CCc3ccccc3)c2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18(9-10-19-7-5-4-6-8-19)27-25(29)23-17-22(15-16-24(23)26)33(30,31)28(2)20-11-13-21(32-3)14-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,27,29)
InChIKeyGKSNARQWTPXERL-UHFFFAOYSA-N
XLogP4.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
2-chloro-N-[(2R,3S)-2-hydroxy-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-5-phenylpentan-3-yl]benzamide
CID 163749318
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide (CID 4132778) is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)CCc3ccccc3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is GKSNARQWTPXERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18(9-10-19-7-5-4-6-8-19)27-25(29)23-17-22(15-16-24(23)26)33(30,31)28(2)20-11-13-21(32-3)14-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,27,29).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide?
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 487.02 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 4132778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).