3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide

C21H26N2O3S — CID 46570374

IUPAC3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)13-20(16-7-4-3-5-8-16)22-21(24)17-9-6-10-19(14-17)27(25,26)23-18-11-12-18/h3-10,14-15,18,20,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyOSIVQOYVBANUTI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.64
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide

3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 46570374) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID46570374
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)13-20(16-7-4-3-5-8-16)22-21(24)17-9-6-10-19(14-17)27(25,26)23-18-11-12-18/h3-10,14-15,18,20,23H,11-13H2,1-2H3,(H,22,24)
InChIKeyOSIVQOYVBANUTI-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
CID 27853449
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55430406
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
[2-oxo-2-(1-phenylbutylamino)ethyl] 3-(cyclopropylsulfamoyl)benzoate
CID 55369094

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide (CID 46570374) is 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is OSIVQOYVBANUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15(2)13-20(16-7-4-3-5-8-16)22-21(24)17-9-6-10-19(14-17)27(25,26)23-18-11-12-18/h3-10,14-15,18,20,23H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 46570374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).