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

C21H24N2O3S — CID 53158952

IUPAC5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3sc(C(=O)NCC4CCCO4)cc3C2)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-4-6-15(7-5-14)21(25)23-9-8-18-16(13-23)11-19(27-18)20(24)22-12-17-3-2-10-26-17/h4-7,11,17H,2-3,8-10,12-13H2,1H3,(H,22,24)
InChIKeyKXXPFCOIBXTDMF-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.16
Rot. Bonds4

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

5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158952) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158952
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3sc(C(=O)NCC4CCCO4)cc3C2)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-4-6-15(7-5-14)21(25)23-9-8-18-16(13-23)11-19(27-18)20(24)22-12-17-3-2-10-26-17/h4-7,11,17H,2-3,8-10,12-13H2,1H3,(H,22,24)
InChIKeyKXXPFCOIBXTDMF-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158952) is 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is Cc1ccc(C(=O)N2CCc3sc(C(=O)NCC4CCCO4)cc3C2)cc1.
What is the InChIKey of 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is KXXPFCOIBXTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-4-6-15(7-5-14)21(25)23-9-8-18-16(13-23)11-19(27-18)20(24)22-12-17-3-2-10-26-17/h4-7,11,17H,2-3,8-10,12-13H2,1H3,(H,22,24).
What are the key properties of 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylbenzoyl)-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).