5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide

C25H26N2O3S — CID 31514219

IUPAC5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C25H26N2O3S/c1-18-12-15-22(31(29,30)26-17-19-8-4-2-5-9-19)16-23(18)25(28)27-24(21-13-14-21)20-10-6-3-7-11-20/h2-12,15-16,21,24,26H,13-14,17H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyFVKGKLBJYJMRKC-DEOSSOPVSA-N
MW434.56 g/mol
LogP4.35
Rot. Bonds8

About 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide (PubChem CID 31514219) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
PubChem CID31514219
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C25H26N2O3S/c1-18-12-15-22(31(29,30)26-17-19-8-4-2-5-9-19)16-23(18)25(28)27-24(21-13-14-21)20-10-6-3-7-11-20/h2-12,15-16,21,24,26H,13-14,17H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyFVKGKLBJYJMRKC-DEOSSOPVSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylsulfamoyl)-N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 42937358
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
5-(benzylsulfamoyl)-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388373
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
N-(1-adamantyl)-5-(benzylsulfamoyl)-2-methylbenzamide
CID 43008919
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 35505735
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide (CID 31514219) is 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide?
The InChIKey is FVKGKLBJYJMRKC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-18-12-15-22(31(29,30)26-17-19-8-4-2-5-9-19)16-23(18)25(28)27-24(21-13-14-21)20-10-6-3-7-11-20/h2-12,15-16,21,24,26H,13-14,17H2,1H3,(H,27,28)/t24-/m0/s1.
What are the key properties of 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 31514219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).