N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C24H25N3O6S — CID 24981256

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-27(16-23(28)25-18-7-11-20(32-2)12-8-18)24(29)17-5-4-6-22(15-17)34(30,31)26-19-9-13-21(33-3)14-10-19/h4-15,26H,16H2,1-3H3,(H,25,28)
InChIKeyDNJSZVWEOFBEKM-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24981256) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24981256
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-27(16-23(28)25-18-7-11-20(32-2)12-8-18)24(29)17-5-4-6-22(15-17)34(30,31)26-19-9-13-21(33-3)14-10-19/h4-15,26H,16H2,1-3H3,(H,25,28)
InChIKeyDNJSZVWEOFBEKM-UHFFFAOYSA-N
XLogP3.22
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 24981256) is N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is DNJSZVWEOFBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-27(16-23(28)25-18-7-11-20(32-2)12-8-18)24(29)17-5-4-6-22(15-17)34(30,31)26-19-9-13-21(33-3)14-10-19/h4-15,26H,16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 483.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24981256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).