1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide

C24H22N2O3S — CID 60511957

IUPAC1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-30(28,29)21-13-11-18(12-14-21)16-25-24(27)23-15-20-9-5-6-10-22(20)26(23)17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeySXCREQZTNCEVHN-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.02
Rot. Bonds6

About 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide

1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide (PubChem CID 60511957) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
PubChem CID60511957
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-30(28,29)21-13-11-18(12-14-21)16-25-24(27)23-15-20-9-5-6-10-22(20)26(23)17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeySXCREQZTNCEVHN-UHFFFAOYSA-N
XLogP4.02
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
CID 51361856
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
CID 55827646
1-[(3-carbamimidoylphenyl)methyl]-N-[(4-chlorophenyl)methyl]indole-2-carboxamide
CID 10905825
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide (CID 60511957) is 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide?
The InChIKey is SXCREQZTNCEVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-30(28,29)21-13-11-18(12-14-21)16-25-24(27)23-15-20-9-5-6-10-22(20)26(23)17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,27).
What are the key properties of 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide?
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 60511957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).