N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide

C19H24N2O3S — CID 109058620

IUPACN-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-5-14-20-19(22)16-8-12-18(13-9-16)25(23,24)21-17-10-6-15(4-2)7-11-17/h6-13,21H,3-5,14H2,1-2H3,(H,20,22)
InChIKeyCVQPKUZFQPZHIB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.58
Rot. Bonds8

About N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide

N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide (PubChem CID 109058620) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
PubChem CID109058620
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-5-14-20-19(22)16-8-12-18(13-9-16)25(23,24)21-17-10-6-15(4-2)7-11-17/h6-13,21H,3-5,14H2,1-2H3,(H,20,22)
InChIKeyCVQPKUZFQPZHIB-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.58
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-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 109061565
4-(1,3-benzodioxol-5-ylsulfamoyl)-N-butylbenzamide
CID 109058656
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide (CID 109058620) is N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide?
The InChIKey is CVQPKUZFQPZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-5-14-20-19(22)16-8-12-18(13-9-16)25(23,24)21-17-10-6-15(4-2)7-11-17/h6-13,21H,3-5,14H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide?
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109058620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).