2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

C25H24N2O4S — CID 155384196

IUPAC2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C25H24N2O4S/c1-17-8-4-7-11-24(17)32(29,30)26-25(28)21-15-18(12-13-23(21)31-3)14-19-16-27(2)22-10-6-5-9-20(19)22/h4-13,15-16H,14H2,1-3H3,(H,26,28)
InChIKeyRKVZKMSWJPWTQT-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.20
Rot. Bonds6

About 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide

2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (PubChem CID 155384196) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
PubChem CID155384196
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C25H24N2O4S/c1-17-8-4-7-11-24(17)32(29,30)26-25(28)21-15-18(12-13-23(21)31-3)14-19-16-27(2)22-10-6-5-9-20(19)22/h4-13,15-16H,14H2,1-3H3,(H,26,28)
InChIKeyRKVZKMSWJPWTQT-UHFFFAOYSA-N
XLogP4.20
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide (CID 155384196) is 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is COc1ccc(Cc2cn(C)c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
The InChIKey is RKVZKMSWJPWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-17-8-4-7-11-24(17)32(29,30)26-25(28)21-15-18(12-13-23(21)31-3)14-19-16-27(2)22-10-6-5-9-20(19)22/h4-13,15-16H,14H2,1-3H3,(H,26,28).
What are the key properties of 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide?
2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 155384196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).