1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H21F2N3O4S — CID 56951111

IUPAC1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C24H21F2N3O4S/c1-3-34(32,33)28-24(31)22-21(17-5-4-10-27-23(17)30)18-11-14(2)6-9-20(18)29(22)13-15-12-16(25)7-8-19(15)26/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyWAOIRKRSVLTZCM-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.71
Rot. Bonds6

About 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 56951111) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID56951111
Molecular FormulaC24H21F2N3O4S
Molecular Weight485.51 g/mol
Exact Mass485.12
IUPAC Name1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc(F)ccc1F
InChIInChI=1S/C24H21F2N3O4S/c1-3-34(32,33)28-24(31)22-21(17-5-4-10-27-23(17)30)18-11-14(2)6-9-20(18)29(22)13-15-12-16(25)7-8-19(15)26/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyWAOIRKRSVLTZCM-UHFFFAOYSA-N
XLogP3.71
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 56951111) is 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)ccc2n1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is WAOIRKRSVLTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c1-3-34(32,33)28-24(31)22-21(17-5-4-10-27-23(17)30)18-11-14(2)6-9-20(18)29(22)13-15-12-16(25)7-8-19(15)26/h4-12H,3,13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 56951111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).