4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide

C24H27N3O4S — CID 27298108

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4S/c1-26(20-9-5-4-6-10-20)18-17-25-24(28)19-13-15-21(16-14-19)32(29,30)27(2)22-11-7-8-12-23(22)31-3/h4-16H,17-18H2,1-3H3,(H,25,28)
InChIKeyNUYFNERZHRUBRH-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.39
Rot. Bonds9

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 27298108) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID27298108
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4S/c1-26(20-9-5-4-6-10-20)18-17-25-24(28)19-13-15-21(16-14-19)32(29,30)27(2)22-11-7-8-12-23(22)31-3/h4-16H,17-18H2,1-3H3,(H,25,28)
InChIKeyNUYFNERZHRUBRH-UHFFFAOYSA-N
XLogP3.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
N-[4-(4-fluorophenoxy)butyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55446636
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide (CID 27298108) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is NUYFNERZHRUBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-26(20-9-5-4-6-10-20)18-17-25-24(28)19-13-15-21(16-14-19)32(29,30)27(2)22-11-7-8-12-23(22)31-3/h4-16H,17-18H2,1-3H3,(H,25,28).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 453.56 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 27298108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).