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

C25H21N3O5S — CID 25173705

IUPAC6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21
InChIInChI=1S/C25H21N3O5S/c1-15-6-3-4-7-17(15)14-28-19-10-9-16-11-13-33-23(16)21(19)20(18-8-5-12-26-24(18)29)22(28)25(30)27-34(2,31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYWRAXCSOEXYWIU-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.79
Rot. Bonds5

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

6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 25173705) has the molecular formula C25H21N3O5S and a molecular weight of 475.53 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID25173705
Molecular FormulaC25H21N3O5S
Molecular Weight475.53 g/mol
Exact Mass475.12
IUPAC Name6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21
InChIInChI=1S/C25H21N3O5S/c1-15-6-3-4-7-17(15)14-28-19-10-9-16-11-13-33-23(16)21(19)20(18-8-5-12-26-24(18)29)22(28)25(30)27-34(2,31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYWRAXCSOEXYWIU-UHFFFAOYSA-N
XLogP3.79
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[7-(2-furyl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 507825
6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25172916
6-[(2-fluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 25172917
6-[(2,4-difluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 25172918
6-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 25172988
6-[(2,5-difluorophenyl)methyl]-N-ethylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774128
6-[(2,4-dimethylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774131
N-cyclopropylsulfonyl-6-[(2,5-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774132
6-[(2,5-difluorophenyl)methyl]-N-isopropylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774133
6-[(2-fluoro-3-methyl-phenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774136
6-[(2-chlorophenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774137
6-[(5-carbamoyl-2-fluoro-phenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 49774210

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 25173705) is 6-[(2-methylphenyl)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-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is Cc1ccccc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2c3occc3ccc21.
What is the InChIKey of 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is YWRAXCSOEXYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5S/c1-15-6-3-4-7-17(15)14-28-19-10-9-16-11-13-33-23(16)21(19)20(18-8-5-12-26-24(18)29)22(28)25(30)27-34(2,31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methyl]-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 25173705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).