3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide

C25H26N2O3S — CID 56523768

IUPAC3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-25(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-24(28)20-9-8-14-23(17-20)31(29,30)26-18-19-15-16-19/h2-14,17,19,26H,15-16,18H2,1H3,(H,27,28)
InChIKeyFQWZTQAPSXOGJE-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.07
Rot. Bonds8

About 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide

3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide (PubChem CID 56523768) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
PubChem CID56523768
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-25(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-24(28)20-9-8-14-23(17-20)31(29,30)26-18-19-15-16-19/h2-14,17,19,26H,15-16,18H2,1H3,(H,27,28)
InChIKeyFQWZTQAPSXOGJE-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide (CID 56523768) is 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide?
The InChIKey is FQWZTQAPSXOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-25(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-24(28)20-9-8-14-23(17-20)31(29,30)26-18-19-15-16-19/h2-14,17,19,26H,15-16,18H2,1H3,(H,27,28).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide?
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide is sourced from PubChem (CID 56523768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).