1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one

C23H22N2O2S2 — CID 55430116

IUPAC1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCc3sccc3C2c2cccs2)c1
InChIInChI=1S/C23H22N2O2S2/c26-21-7-2-10-24(21)15-16-4-1-5-17(14-16)23(27)25-11-8-19-18(9-13-29-19)22(25)20-6-3-12-28-20/h1,3-6,9,12-14,22H,2,7-8,10-11,15H2
InChIKeyKKQGTJMOYPMXHR-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.72
Rot. Bonds4

About 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one

1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 55430116) has the molecular formula C23H22N2O2S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID55430116
Molecular FormulaC23H22N2O2S2
Molecular Weight422.58 g/mol
Exact Mass422.11
IUPAC Name1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(C(=O)N2CCc3sccc3C2c2cccs2)c1
InChIInChI=1S/C23H22N2O2S2/c26-21-7-2-10-24(21)15-16-4-1-5-17(14-16)23(27)25-11-8-19-18(9-13-29-19)22(25)20-6-3-12-28-20/h1,3-6,9,12-14,22H,2,7-8,10-11,15H2
InChIKeyKKQGTJMOYPMXHR-UHFFFAOYSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one (CID 55430116) is 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(C(=O)N2CCc3sccc3C2c2cccs2)c1.
What is the InChIKey of 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KKQGTJMOYPMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S2/c26-21-7-2-10-24(21)15-16-4-1-5-17(14-16)23(27)25-11-8-19-18(9-13-29-19)22(25)20-6-3-12-28-20/h1,3-6,9,12-14,22H,2,7-8,10-11,15H2.
What are the key properties of 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one?
1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 422.58 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 55430116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).