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

C18H17N3O4S2 — CID 54727685

IUPAC7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCC(=O)NCCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C18H17N3O4S2/c19-17(25)14-15-16(11(22)8-12(23)21-15)27-18(14)26-9-13(24)20-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,19,25)(H,20,24)(H2,21,22,23)
InChIKeyGIDLQNSLTGZJKB-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.85
Rot. Bonds7

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

7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54727685) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54727685
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCC(=O)NCCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C18H17N3O4S2/c19-17(25)14-15-16(11(22)8-12(23)21-15)27-18(14)26-9-13(24)20-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,19,25)(H,20,24)(H2,21,22,23)
InChIKeyGIDLQNSLTGZJKB-UHFFFAOYSA-N
XLogP1.85
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-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 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54727685) is 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCC(=O)NCCc2ccccc2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is GIDLQNSLTGZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c19-17(25)14-15-16(11(22)8-12(23)21-15)27-18(14)26-9-13(24)20-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,19,25)(H,20,24)(H2,21,22,23).
What are the key properties of 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 1.85, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54727685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).