N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C25H26N2O4S — CID 46513510

IUPACN-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2O4S/c1-27(22-10-6-7-11-23(22)31-2)32(29,30)21-16-14-20(15-17-21)25(28)26-24(19-12-13-19)18-8-4-3-5-9-18/h3-11,14-17,19,24H,12-13H2,1-2H3,(H,26,28)
InChIKeyXAXGLLHUNDTKAZ-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.40
Rot. Bonds8

About N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 46513510) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID46513510
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C25H26N2O4S/c1-27(22-10-6-7-11-23(22)31-2)32(29,30)21-16-14-20(15-17-21)25(28)26-24(19-12-13-19)18-8-4-3-5-9-18/h3-11,14-17,19,24H,12-13H2,1-2H3,(H,26,28)
InChIKeyXAXGLLHUNDTKAZ-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4599949
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 39650274
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 46513510) is N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is XAXGLLHUNDTKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-27(22-10-6-7-11-23(22)31-2)32(29,30)21-16-14-20(15-17-21)25(28)26-24(19-12-13-19)18-8-4-3-5-9-18/h3-11,14-17,19,24H,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 46513510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).