3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide

C19H32N2O3S — CID 17226785

IUPAC3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)NCC(CC)CCCC)c1
InChIInChI=1S/C19H32N2O3S/c1-4-7-10-16(6-3)15-20-19(22)17-11-9-12-18(14-17)25(23,24)21-13-8-5-2/h9,11-12,14,16,21H,4-8,10,13,15H2,1-3H3,(H,20,22)
InChIKeyVHGSIRLTEGLAPX-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.71
Rot. Bonds12

About 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide

3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide (PubChem CID 17226785) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
PubChem CID17226785
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
SMILESCCCCNS(=O)(=O)c1cccc(C(=O)NCC(CC)CCCC)c1
InChIInChI=1S/C19H32N2O3S/c1-4-7-10-16(6-3)15-20-19(22)17-11-9-12-18(14-17)25(23,24)21-13-8-5-2/h9,11-12,14,16,21H,4-8,10,13,15H2,1-3H3,(H,20,22)
InChIKeyVHGSIRLTEGLAPX-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-ethylhexyl]-3-methylsulfonylbenzamide
CID 36616680
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-butyl-3-(2-methylpropanoyl)benzenesulfonamide
CID 39383401
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057
N-(2-ethylhexyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133229112
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The IUPAC name of 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide (CID 17226785) is 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide is CCCCNS(=O)(=O)c1cccc(C(=O)NCC(CC)CCCC)c1.
What is the InChIKey of 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide?
The InChIKey is VHGSIRLTEGLAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-4-7-10-16(6-3)15-20-19(22)17-11-9-12-18(14-17)25(23,24)21-13-8-5-2/h9,11-12,14,16,21H,4-8,10,13,15H2,1-3H3,(H,20,22).
What are the key properties of 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide?
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide has a molecular weight of 368.54 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 17226785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).