5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C23H21FN2O3S — CID 53159032

IUPAC5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C23H21FN2O3S/c1-29-19-8-2-15(3-9-19)13-25-22(27)21-12-17-14-26(11-10-20(17)30-21)23(28)16-4-6-18(24)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,25,27)
InChIKeyKQGHESJVYUDPMJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.02
Rot. Bonds5

About 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53159032) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53159032
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C23H21FN2O3S/c1-29-19-8-2-15(3-9-19)13-25-22(27)21-12-17-14-26(11-10-20(17)30-21)23(28)16-4-6-18(24)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,25,27)
InChIKeyKQGHESJVYUDPMJ-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53159032) is 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)cc1.
What is the InChIKey of 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is KQGHESJVYUDPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-29-19-8-2-15(3-9-19)13-25-22(27)21-12-17-14-26(11-10-20(17)30-21)23(28)16-4-6-18(24)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,25,27).
What are the key properties of 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53159032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).