N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide

C23H24N2O4S — CID 110825657

IUPACN-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-25(20-7-5-4-6-8-20)30(27,28)22-15-11-19(12-16-22)24-17-23(26)18-9-13-21(29-2)14-10-18/h4-16,24H,3,17H2,1-2H3
InChIKeyLTBCICJXMBEXJL-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.21
Rot. Bonds9

About N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide

N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide (PubChem CID 110825657) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide
PubChem CID110825657
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-3-25(20-7-5-4-6-8-20)30(27,28)22-15-11-19(12-16-22)24-17-23(26)18-9-13-21(29-2)14-10-18/h4-16,24H,3,17H2,1-2H3
InChIKeyLTBCICJXMBEXJL-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzenesulfonamide
CID 110826037
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
N-ethyl-4-[[2-oxo-2-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]amino]-N-phenylbenzenesulfonamide
CID 110828976
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(4-methoxyanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824089
4-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2364863
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 4856047
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide (CID 110825657) is N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide?
The InChIKey is LTBCICJXMBEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-25(20-7-5-4-6-8-20)30(27,28)22-15-11-19(12-16-22)24-17-23(26)18-9-13-21(29-2)14-10-18/h4-16,24H,3,17H2,1-2H3.
What are the key properties of N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide?
N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 110825657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).