3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide

C20H26N2O3S — CID 109062953

IUPAC3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H26N2O3S/c1-6-16(5)22-26(24,25)18-9-7-8-17(12-18)20(23)21-19-14(3)10-13(2)11-15(19)4/h7-12,16,22H,6H2,1-5H3,(H,21,23)
InChIKeyQNXBCNUHMGXCFA-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.94
Rot. Bonds6

About 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide

3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 109062953) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID109062953
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H26N2O3S/c1-6-16(5)22-26(24,25)18-9-7-8-17(12-18)20(23)21-19-14(3)10-13(2)11-15(19)4/h7-12,16,22H,6H2,1-5H3,(H,21,23)
InChIKeyQNXBCNUHMGXCFA-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
CID 109063065
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
3-(butan-2-ylsulfamoyl)benzenecarbothioamide
CID 24711607
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 4849210
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide (CID 109062953) is 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is QNXBCNUHMGXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-16(5)22-26(24,25)18-9-7-8-17(12-18)20(23)21-19-14(3)10-13(2)11-15(19)4/h7-12,16,22H,6H2,1-5H3,(H,21,23).
What are the key properties of 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide?
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 109062953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).