N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide

C18H22N2O4S — CID 109061947

IUPACN-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C18H22N2O4S/c1-3-12-19-25(22,23)15-9-7-8-14(13-15)18(21)20-16-10-5-6-11-17(16)24-4-2/h5-11,13,19H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyLSQCYZSHCGYTNQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.03
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide

N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide (PubChem CID 109061947) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
PubChem CID109061947
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C18H22N2O4S/c1-3-12-19-25(22,23)15-9-7-8-14(13-15)18(21)20-16-10-5-6-11-17(16)24-4-2/h5-11,13,19H,3-4,12H2,1-2H3,(H,20,21)
InChIKeyLSQCYZSHCGYTNQ-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537050
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731
N-(2-ethoxy-4-methylphenyl)-3-(ethylsulfamoyl)benzamide
CID 87047102
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
N-(2-bromophenyl)-3-(butylsulfamoyl)benzamide
CID 17226776
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide (CID 109061947) is N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide?
The InChIKey is LSQCYZSHCGYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-12-19-25(22,23)15-9-7-8-14(13-15)18(21)20-16-10-5-6-11-17(16)24-4-2/h5-11,13,19H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide?
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109061947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).