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

C21H19ClN2O3S — CID 53159006

IUPAC5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)o1
InChIInChI=1S/C21H19ClN2O3S/c1-13-2-7-17(27-13)11-23-20(25)19-10-15-12-24(9-8-18(15)28-19)21(26)14-3-5-16(22)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyFVUABQDYKBVGPN-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.43
Rot. Bonds4

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

5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53159006) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53159006
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)o1
InChIInChI=1S/C21H19ClN2O3S/c1-13-2-7-17(27-13)11-23-20(25)19-10-15-12-24(9-8-18(15)28-19)21(26)14-3-5-16(22)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyFVUABQDYKBVGPN-UHFFFAOYSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53159006) is 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)o1.
What is the InChIKey of 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is FVUABQDYKBVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-13-2-7-17(27-13)11-23-20(25)19-10-15-12-24(9-8-18(15)28-19)21(26)14-3-5-16(22)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 414.91 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53159006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).