4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

C19H23ClN2O3S — CID 49018159

IUPAC4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(23)15-9-10-16(20)18(12-15)22-26(3,24)25/h4-10,12-13,17,22H,11H2,1-3H3,(H,21,23)
InChIKeyHMHOYHGSEFYOSJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.23
Rot. Bonds7

About 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 49018159) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID49018159
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(23)15-9-10-16(20)18(12-15)22-26(3,24)25/h4-10,12-13,17,22H,11H2,1-3H3,(H,21,23)
InChIKeyHMHOYHGSEFYOSJ-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568374
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (CID 49018159) is 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is HMHOYHGSEFYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)11-17(14-7-5-4-6-8-14)21-19(23)15-9-10-16(20)18(12-15)22-26(3,24)25/h4-10,12-13,17,22H,11H2,1-3H3,(H,21,23).
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 49018159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).