5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

C25H27N3O5S — CID 46550879

IUPAC5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C25H27N3O5S/c1-17-9-12-23(33-3)22(13-17)28-24(29)16-26-25(30)21-14-20(11-10-18(21)2)34(31,32)27-15-19-7-5-4-6-8-19/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyJOLWYSWOBSVKSD-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.16
Rot. Bonds9

About 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 46550879) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID46550879
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C25H27N3O5S/c1-17-9-12-23(33-3)22(13-17)28-24(29)16-26-25(30)21-14-20(11-10-18(21)2)34(31,32)27-15-19-7-5-4-6-8-19/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyJOLWYSWOBSVKSD-UHFFFAOYSA-N
XLogP3.16
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
CID 55638308
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
N-[2-(benzylamino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 36698057

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide (CID 46550879) is 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is JOLWYSWOBSVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-9-12-23(33-3)22(13-17)28-24(29)16-26-25(30)21-14-20(11-10-18(21)2)34(31,32)27-15-19-7-5-4-6-8-19/h4-14,27H,15-16H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46550879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).