6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C24H18FN3O5S — CID 25172917

IUPAC6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H18FN3O5S/c1-34(31,32)27-24(30)21-19(16-6-4-11-26-23(16)29)20-18(9-8-14-10-12-33-22(14)20)28(21)13-15-5-2-3-7-17(15)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyKLMHAERLPFEKCJ-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.62
Rot. Bonds5

About 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 25172917) has the molecular formula C24H18FN3O5S and a molecular weight of 479.49 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID25172917
Molecular FormulaC24H18FN3O5S
Molecular Weight479.49 g/mol
Exact Mass479.10
IUPAC Name6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H18FN3O5S/c1-34(31,32)27-24(30)21-19(16-6-4-11-26-23(16)29)20-18(9-8-14-10-12-33-22(14)20)28(21)13-15-5-2-3-7-17(15)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyKLMHAERLPFEKCJ-UHFFFAOYSA-N
XLogP3.62
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 25172917) is 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3ccc2n1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is KLMHAERLPFEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O5S/c1-34(31,32)27-24(30)21-19(16-6-4-11-26-23(16)29)20-18(9-8-14-10-12-33-22(14)20)28(21)13-15-5-2-3-7-17(15)25/h2-12H,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 25172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).