N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

C19H16N2O4S2 — CID 56951954

IUPACN-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESO=C(CSc1sc2c(O)cc(=O)[nH]c2c1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-12-8-14(24)21-16-15(18(25)20-11-6-7-11)19(27-17(12)16)26-9-13(23)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,25)(H2,21,22,24)
InChIKeyUTEURVFHYCMRHN-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.16
Rot. Bonds6

About N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide

N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 56951954) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID56951954
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESO=C(CSc1sc2c(O)cc(=O)[nH]c2c1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-12-8-14(24)21-16-15(18(25)20-11-6-7-11)19(27-17(12)16)26-9-13(23)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,25)(H2,21,22,24)
InChIKeyUTEURVFHYCMRHN-UHFFFAOYSA-N
XLogP3.16
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 56951954) is N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is O=C(CSc1sc2c(O)cc(=O)[nH]c2c1C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is UTEURVFHYCMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-12-8-14(24)21-16-15(18(25)20-11-6-7-11)19(27-17(12)16)26-9-13(23)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,20,25)(H2,21,22,24).
What are the key properties of N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide?
N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-hydroxy-5-oxo-2-phenacylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 56951954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).