4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide

C21H26N2O3S — CID 27853449

IUPAC4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)14-20(16-6-4-3-5-7-16)22-21(24)17-8-12-19(13-9-17)27(25,26)23-18-10-11-18/h3-9,12-13,15,18,20,23H,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeySPHHCQKWDFWYAZ-HXUWFJFHSA-N
MW386.52 g/mol
LogP3.64
Rot. Bonds8

About 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide

4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide (PubChem CID 27853449) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
PubChem CID27853449
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-15(2)14-20(16-6-4-3-5-7-16)22-21(24)17-8-12-19(13-9-17)27(25,26)23-18-10-11-18/h3-9,12-13,15,18,20,23H,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeySPHHCQKWDFWYAZ-HXUWFJFHSA-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

3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide (CID 27853449) is 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide is CC(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide?
The InChIKey is SPHHCQKWDFWYAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15(2)14-20(16-6-4-3-5-7-16)22-21(24)17-8-12-19(13-9-17)27(25,26)23-18-10-11-18/h3-9,12-13,15,18,20,23H,10-11,14H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[(1R)-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 4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide is sourced from PubChem (CID 27853449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).