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

C20H17FN2O2S2 — CID 53159050

IUPAC5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C20H17FN2O2S2/c21-15-5-3-13(4-6-15)20(25)23-8-7-17-14(12-23)10-18(27-17)19(24)22-11-16-2-1-9-26-16/h1-6,9-10H,7-8,11-12H2,(H,22,24)
InChIKeyBXZOFJUNHJQJJL-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.08
Rot. Bonds4

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

5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53159050) has the molecular formula C20H17FN2O2S2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53159050
Molecular FormulaC20H17FN2O2S2
Molecular Weight400.50 g/mol
Exact Mass400.07
IUPAC Name5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C20H17FN2O2S2/c21-15-5-3-13(4-6-15)20(25)23-8-7-17-14(12-23)10-18(27-17)19(24)22-11-16-2-1-9-26-16/h1-6,9-10H,7-8,11-12H2,(H,22,24)
InChIKeyBXZOFJUNHJQJJL-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.08
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-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53159050) is 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is O=C(NCc1cccs1)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is BXZOFJUNHJQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S2/c21-15-5-3-13(4-6-15)20(25)23-8-7-17-14(12-23)10-18(27-17)19(24)22-11-16-2-1-9-26-16/h1-6,9-10H,7-8,11-12H2,(H,22,24).
What are the key properties of 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53159050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).