2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide

C19H20F2N2O3S — CID 24550196

IUPAC2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)OC(C)C2
InChIInChI=1S/C19H20F2N2O3S/c1-3-25-15-8-12-7-11(2)26-16(12)9-13(15)10-23-17(24)14-5-4-6-22-18(14)27-19(20)21/h4-6,8-9,11,19H,3,7,10H2,1-2H3,(H,23,24)
InChIKeyCXJVFOALSVXAGT-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.05
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 24550196) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide
PubChem CID24550196
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)OC(C)C2
InChIInChI=1S/C19H20F2N2O3S/c1-3-25-15-8-12-7-11(2)26-16(12)9-13(15)10-23-17(24)14-5-4-6-22-18(14)27-19(20)21/h4-6,8-9,11,19H,3,7,10H2,1-2H3,(H,23,24)
InChIKeyCXJVFOALSVXAGT-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 39966605
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 31475715
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398889
5-bromo-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-fluorobenzamide
CID 9400290
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
(2R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646725
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646726
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide
CID 18274536
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268869
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide (CID 24550196) is 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide is CCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)OC(C)C2.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CXJVFOALSVXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-3-25-15-8-12-7-11(2)26-16(12)9-13(15)10-23-17(24)14-5-4-6-22-18(14)27-19(20)21/h4-6,8-9,11,19H,3,7,10H2,1-2H3,(H,23,24).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24550196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).