N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide

C18H22N2O3S — CID 109058046

IUPACN-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-13-19-24(22,23)16-11-9-15(10-12-16)18(21)20-17-8-6-5-7-14(17)4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyZGBHBLFDWPMITK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.19
Rot. Bonds7

About N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide

N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide (PubChem CID 109058046) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
PubChem CID109058046
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-13-19-24(22,23)16-11-9-15(10-12-16)18(21)20-17-8-6-5-7-14(17)4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyZGBHBLFDWPMITK-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119439947
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide (CID 109058046) is N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide?
The InChIKey is ZGBHBLFDWPMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-13-19-24(22,23)16-11-9-15(10-12-16)18(21)20-17-8-6-5-7-14(17)4-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide?
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109058046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).