ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H20F2N2O3S — CID 43949958

IUPACethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCN(CC)C2
InChIInChI=1S/C19H20F2N2O3S/c1-3-23-8-7-12-15(10-23)27-18(16(12)19(25)26-4-2)22-17(24)11-5-6-13(20)14(21)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,24)
InChIKeyIXYZSVQRXKOWQZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.83
Rot. Bonds5

About ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 43949958) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID43949958
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Nameethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCN(CC)C2
InChIInChI=1S/C19H20F2N2O3S/c1-3-23-8-7-12-15(10-23)27-18(16(12)19(25)26-4-2)22-17(24)11-5-6-13(20)14(21)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,24)
InChIKeyIXYZSVQRXKOWQZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(3,4-difluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2384138
ethyl 6-ethyl-2-[(4-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989697
ethyl 6-ethyl-2-[(2-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 9452273
ethyl 6-ethyl-2-[(2-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 7565021
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3344598
ethyl 6-benzyl-2-[(2-chloro-4,5-difluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 2342299
methyl 6-ethyl-2-[(4-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44987429
ethyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44915970
ethyl 6-ethyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3626023
ethyl 6-methyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3712667
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41044416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 43949958) is ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCN(CC)C2.
What is the InChIKey of ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is IXYZSVQRXKOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-3-23-8-7-12-15(10-23)27-18(16(12)19(25)26-4-2)22-17(24)11-5-6-13(20)14(21)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 394.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 43949958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).