6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C26H20FN3O6S2 — CID 163603724

IUPAC6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCC(=O)c1cc(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)cs1
InChIInChI=1S/C26H20FN3O6S2/c1-13(31)20-9-14(12-37-20)11-30-19-10-18(27)16-6-8-36-24(16)22(19)21(17-3-2-7-28-25(17)32)23(30)26(33)29-38(34,35)15-4-5-15/h2-3,6-10,12,15H,4-5,11H2,1H3,(H,28,32)(H,29,33)
InChIKeyGZYXAJFIWFISOU-UHFFFAOYSA-N
MW553.59 g/mol
LogP4.42
Rot. Bonds7

About 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 163603724) has the molecular formula C26H20FN3O6S2 and a molecular weight of 553.59 g/mol. Its IUPAC name is 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID163603724
Molecular FormulaC26H20FN3O6S2
Molecular Weight553.59 g/mol
Exact Mass553.08
IUPAC Name6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCC(=O)c1cc(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)cs1
InChIInChI=1S/C26H20FN3O6S2/c1-13(31)20-9-14(12-37-20)11-30-19-10-18(27)16-6-8-36-24(16)22(19)21(17-3-2-7-28-25(17)32)23(30)26(33)29-38(34,35)15-4-5-15/h2-3,6-10,12,15H,4-5,11H2,1H3,(H,28,32)(H,29,33)
InChIKeyGZYXAJFIWFISOU-UHFFFAOYSA-N
XLogP4.42
TPSA131.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 163603724) is 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is CC(=O)c1cc(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)cs1.
What is the InChIKey of 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is GZYXAJFIWFISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O6S2/c1-13(31)20-9-14(12-37-20)11-30-19-10-18(27)16-6-8-36-24(16)22(19)21(17-3-2-7-28-25(17)32)23(30)26(33)29-38(34,35)15-4-5-15/h2-3,6-10,12,15H,4-5,11H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 553.59 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 163603724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).