N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide

C20H26N2O3S — CID 109063065

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

About N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide

N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide (PubChem CID 109063065) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
PubChem CID109063065
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C20H26N2O3S/c1-6-16(5)21-20(23)17-8-7-9-18(12-17)26(24,25)22-19-14(3)10-13(2)11-15(19)4/h7-12,16,22H,6H2,1-5H3,(H,21,23)
InChIKeyIGGQPDVPNUCSNQ-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-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
N-butan-2-yl-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109063059
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
CID 109063102
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
N-butan-2-yl-2-[[3-[(2,5-dimethylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 90681061
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-butan-2-yl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54833805

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide (CID 109063065) is N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide?
The InChIKey is IGGQPDVPNUCSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-16(5)21-20(23)17-8-7-9-18(12-17)26(24,25)22-19-14(3)10-13(2)11-15(19)4/h7-12,16,22H,6H2,1-5H3,(H,21,23).
What are the key properties of N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide?
N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]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 N-butan-2-yl-3-[(2,4,6-trimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109063065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).