1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C30H26F2N4O6S2 — CID 25225634

IUPAC1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccc(F)cc1F
InChIInChI=1S/C30H26F2N4O6S2/c1-3-18-9-12-26-24(14-18)27(23-8-5-13-33-29(23)37)28(36(26)17-19-10-11-20(31)15-25(19)32)30(38)35-44(41,42)22-7-4-6-21(16-22)34-43(2,39)40/h4-16,34H,3,17H2,1-2H3,(H,33,37)(H,35,38)
InChIKeyCVFXLGULPIESHL-UHFFFAOYSA-N
MW640.69 g/mol
LogP4.38
Rot. Bonds9

About 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25225634) has the molecular formula C30H26F2N4O6S2 and a molecular weight of 640.69 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25225634
Molecular FormulaC30H26F2N4O6S2
Molecular Weight640.69 g/mol
Exact Mass640.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccc(F)cc1F
InChIInChI=1S/C30H26F2N4O6S2/c1-3-18-9-12-26-24(14-18)27(23-8-5-13-33-29(23)37)28(36(26)17-19-10-11-20(31)15-25(19)32)30(38)35-44(41,42)22-7-4-6-21(16-22)34-43(2,39)40/h4-16,34H,3,17H2,1-2H3,(H,33,37)(H,35,38)
InChIKeyCVFXLGULPIESHL-UHFFFAOYSA-N
XLogP4.38
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.69
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(Cyclopropylsulfonyl)-1-(2,5-Difluorobenzyl)-6-Fluoro-5-Methyl-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-1h-Indole-2-Carboxamide
CID 56593147
1-[(2-fluoro-5-nitro-phenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226009
N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitro-phenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226549
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-nitro-phenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25227113
N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitro-phenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132616
ECE Inhibitor, 11
CID 11505649
N-[(3R,4S)-1-(benzenesulfonyl)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156012122
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156013297
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3R)-1-methylpiperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156015100
N-cyclopropylsulfonyl-6-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 156016547
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156020725
N-[(3S,4S)-1-(benzenesulfonyl)-3-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]-5-methyl-1H-indole-2-carboxamide
CID 156021297

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25225634) is 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)c1cccc(NS(C)(=O)=O)c1)n2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is CVFXLGULPIESHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N4O6S2/c1-3-18-9-12-26-24(14-18)27(23-8-5-13-33-29(23)37)28(36(26)17-19-10-11-20(31)15-25(19)32)30(38)35-44(41,42)22-7-4-6-21(16-22)34-43(2,39)40/h4-16,34H,3,17H2,1-2H3,(H,33,37)(H,35,38).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 640.69 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).