2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C14H17N3O4S2 — CID 54728836

IUPAC2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C14H17N3O4S2/c1-3-17(4-2)9(20)6-22-14-10(13(15)21)11-12(23-14)7(18)5-8(19)16-11/h5H,3-4,6H2,1-2H3,(H2,15,21)(H2,16,18,19)
InChIKeyANPVHSBJLJSZTL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.35
Rot. Bonds6

About 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728836) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728836
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O
InChIInChI=1S/C14H17N3O4S2/c1-3-17(4-2)9(20)6-22-14-10(13(15)21)11-12(23-14)7(18)5-8(19)16-11/h5H,3-4,6H2,1-2H3,(H2,15,21)(H2,16,18,19)
InChIKeyANPVHSBJLJSZTL-UHFFFAOYSA-N
XLogP1.35
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728836) is 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is CCN(CC)C(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is ANPVHSBJLJSZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-3-17(4-2)9(20)6-22-14-10(13(15)21)11-12(23-14)7(18)5-8(19)16-11/h5H,3-4,6H2,1-2H3,(H2,15,21)(H2,16,18,19).
What are the key properties of 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).