N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide

C21H28N2O3S — CID 46568326

IUPACN-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)14-20(17-8-6-5-7-9-17)22-21(24)18-10-12-19(13-11-18)27(25,26)23-16(3)4/h5-13,15-16,20,23H,14H2,1-4H3,(H,22,24)
InChIKeyVLHBPPADZHZWFK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.89
Rot. Bonds8

About N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46568326) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID46568326
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-15(2)14-20(17-8-6-5-7-9-17)22-21(24)18-10-12-19(13-11-18)27(25,26)23-16(3)4/h5-13,15-16,20,23H,14H2,1-4H3,(H,22,24)
InChIKeyVLHBPPADZHZWFK-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.89
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
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
2-(benzenesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43907741
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-[(4-methoxyphenyl)-phenylmethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600285
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 46568326) is N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)CC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is VLHBPPADZHZWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)14-20(17-8-6-5-7-9-17)22-21(24)18-10-12-19(13-11-18)27(25,26)23-16(3)4/h5-13,15-16,20,23H,14H2,1-4H3,(H,22,24).
What are the key properties of N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46568326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).