ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C18H20FN3O3S — CID 2810966

IUPACethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C18H20FN3O3S/c1-3-25-17(23)15-13-8-9-22(2)10-14(13)26-16(15)21-18(24)20-12-6-4-11(19)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,20,21,24)
InChIKeyCQERZMAVFJPPOP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.70
Rot. Bonds4

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

ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 2810966) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID2810966
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Nameethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCN(C)C2
InChIInChI=1S/C18H20FN3O3S/c1-3-25-17(23)15-13-8-9-22(2)10-14(13)26-16(15)21-18(24)20-12-6-4-11(19)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,20,21,24)
InChIKeyCQERZMAVFJPPOP-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 2810966) is ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCN(C)C2.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is CQERZMAVFJPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-3-25-17(23)15-13-8-9-22(2)10-14(13)26-16(15)21-18(24)20-12-6-4-11(19)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,20,21,24).
What are the key properties of ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 2810966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).