1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

C24H24N4O3S — CID 50802080

IUPAC1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccccn1)n2Cc1ccccc1
InChIInChI=1S/C24H24N4O3S/c1-27(2)32(30,31)21-11-12-22-19(14-21)15-23(28(22)17-18-8-4-3-5-9-18)24(29)26-16-20-10-6-7-13-25-20/h3-15H,16-17H2,1-2H3,(H,26,29)
InChIKeyZEAITLLGRBIFGI-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.26
Rot. Bonds7

About 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide

1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (PubChem CID 50802080) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
PubChem CID50802080
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccccn1)n2Cc1ccccc1
InChIInChI=1S/C24H24N4O3S/c1-27(2)32(30,31)21-11-12-22-19(14-21)15-23(28(22)17-18-8-4-3-5-9-18)24(29)26-16-20-10-6-7-13-25-20/h3-15H,16-17H2,1-2H3,(H,26,29)
InChIKeyZEAITLLGRBIFGI-UHFFFAOYSA-N
XLogP3.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 24665655
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide (CID 50802080) is 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCc1ccccn1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
The InChIKey is ZEAITLLGRBIFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-27(2)32(30,31)21-11-12-22-19(14-21)15-23(28(22)17-18-8-4-3-5-9-18)24(29)26-16-20-10-6-7-13-25-20/h3-15H,16-17H2,1-2H3,(H,26,29).
What are the key properties of 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide?
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 50802080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).