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

C20H25ClN2O3S — CID 46568374

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)12-18(15-8-6-5-7-9-15)22-20(24)16-10-11-17(21)19(13-16)27(25,26)23(3)4/h5-11,13-14,18H,12H2,1-4H3,(H,22,24)
InChIKeyVDBWAOFZLPHILT-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.11
Rot. Bonds7

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

4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 46568374) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID46568374
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)12-18(15-8-6-5-7-9-15)22-20(24)16-10-11-17(21)19(13-16)27(25,26)23(3)4/h5-11,13-14,18H,12H2,1-4H3,(H,22,24)
InChIKeyVDBWAOFZLPHILT-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 24600801
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
methyl (2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 25484227
methyl (2R)-2-[[4-chloro-3-[methyl(phenyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 25437819
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide (CID 46568374) is 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is VDBWAOFZLPHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-14(2)12-18(15-8-6-5-7-9-15)22-20(24)16-10-11-17(21)19(13-16)27(25,26)23(3)4/h5-11,13-14,18H,12H2,1-4H3,(H,22,24).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 408.95 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 46568374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).