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

C25H21FN4O6S2 — CID 25173149

IUPAC6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1csc(C(N)=O)c1
InChIInChI=1S/C25H21FN4O6S2/c1-12(2)38(34,35)29-25(33)21-19(15-4-3-6-28-24(15)32)20-17(9-16(26)14-5-7-36-22(14)20)30(21)10-13-8-18(23(27)31)37-11-13/h3-9,11-12H,10H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)
InChIKeyJLKRFEXKVCWELA-UHFFFAOYSA-N
MW556.60 g/mol
LogP3.56
Rot. Bonds7

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

6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide (PubChem CID 25173149) has the molecular formula C25H21FN4O6S2 and a molecular weight of 556.60 g/mol. Its IUPAC name is 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
PubChem CID25173149
Molecular FormulaC25H21FN4O6S2
Molecular Weight556.60 g/mol
Exact Mass556.09
IUPAC Name6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1csc(C(N)=O)c1
InChIInChI=1S/C25H21FN4O6S2/c1-12(2)38(34,35)29-25(33)21-19(15-4-3-6-28-24(15)32)20-17(9-16(26)14-5-7-36-22(14)20)30(21)10-13-8-18(23(27)31)37-11-13/h3-9,11-12H,10H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33)
InChIKeyJLKRFEXKVCWELA-UHFFFAOYSA-N
XLogP3.56
TPSA157.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.60
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide (CID 25173149) is 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide is CC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1csc(C(N)=O)c1.
What is the InChIKey of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The InChIKey is JLKRFEXKVCWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O6S2/c1-12(2)38(34,35)29-25(33)21-19(15-4-3-6-28-24(15)32)20-17(9-16(26)14-5-7-36-22(14)20)30(21)10-13-8-18(23(27)31)37-11-13/h3-9,11-12H,10H2,1-2H3,(H2,27,31)(H,28,32)(H,29,33).
What are the key properties of 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide has a molecular weight of 556.60 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 25173149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).