N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C23H23N3O5S — CID 55958800

IUPACN-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O5S/c1-2-31-20-13-11-19(12-14-20)26-32(29,30)21-10-6-7-17(15-21)23(28)24-16-22(27)25-18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3,(H,24,28)(H,25,27)
InChIKeyORPABDKRTQTWJY-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.25
Rot. Bonds9

About N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 55958800) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID55958800
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H23N3O5S/c1-2-31-20-13-11-19(12-14-20)26-32(29,30)21-10-6-7-17(15-21)23(28)24-16-22(27)25-18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3,(H,24,28)(H,25,27)
InChIKeyORPABDKRTQTWJY-UHFFFAOYSA-N
XLogP3.25
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
CID 163355301
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 55958800) is N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ORPABDKRTQTWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-2-31-20-13-11-19(12-14-20)26-32(29,30)21-10-6-7-17(15-21)23(28)24-16-22(27)25-18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55958800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).