2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone

C26H25FN2O4S — CID 58132635

IUPAC2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)c1c(-c2cccnc2OC)c2cc(C)ccc2n1Cc1ccccc1F
InChIInChI=1S/C26H25FN2O4S/c1-4-34(31,32)16-23(30)25-24(19-9-7-13-28-26(19)33-3)20-14-17(2)11-12-22(20)29(25)15-18-8-5-6-10-21(18)27/h5-14H,4,15-16H2,1-3H3
InChIKeyZUWCCZRHAPWSSG-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.83
Rot. Bonds8

About 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone

2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone (PubChem CID 58132635) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone
PubChem CID58132635
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC Name2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)c1c(-c2cccnc2OC)c2cc(C)ccc2n1Cc1ccccc1F
InChIInChI=1S/C26H25FN2O4S/c1-4-34(31,32)16-23(30)25-24(19-9-7-13-28-26(19)33-3)20-14-17(2)11-12-22(20)29(25)15-18-8-5-6-10-21(18)27/h5-14H,4,15-16H2,1-3H3
InChIKeyZUWCCZRHAPWSSG-UHFFFAOYSA-N
XLogP4.83
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone?
The IUPAC name of 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone (CID 58132635) is 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone?
The canonical SMILES for 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone is CCS(=O)(=O)CC(=O)c1c(-c2cccnc2OC)c2cc(C)ccc2n1Cc1ccccc1F.
What is the InChIKey of 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone?
The InChIKey is ZUWCCZRHAPWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c1-4-34(31,32)16-23(30)25-24(19-9-7-13-28-26(19)33-3)20-14-17(2)11-12-22(20)29(25)15-18-8-5-6-10-21(18)27/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone?
2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone has a molecular weight of 480.56 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-[1-[(2-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-5-methylindol-2-yl]ethanone is sourced from PubChem (CID 58132635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).