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

C16H14N2O3S2 — CID 54728864

IUPAC7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H14N2O3S2/c17-15(21)12-13-14(10(19)8-11(20)18-13)23-16(12)22-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,17,21)(H2,18,19,20)
InChIKeyCNBBRSQBOFTIQS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.73
Rot. Bonds5

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

7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728864) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728864
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCc2ccccc2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H14N2O3S2/c17-15(21)12-13-14(10(19)8-11(20)18-13)23-16(12)22-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,17,21)(H2,18,19,20)
InChIKeyCNBBRSQBOFTIQS-UHFFFAOYSA-N
XLogP2.73
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-5-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54727685
benzyl 2-[(3-carbamoyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetate
CID 54726258
7-hydroxy-2-(3-methylbutylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54737206
2-[(4-bromophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54728842
propan-2-yl 2-[(3-carbamoyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetate
CID 54734688
2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54691588
7-hydroxy-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54728874
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 54734645
ethyl 4-[[2-[(3-carbamoyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 54737185
2-[(3-fluorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54691594
2-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54693378
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691677

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728864) is 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCCc2ccccc2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is CNBBRSQBOFTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c17-15(21)12-13-14(10(19)8-11(20)18-13)23-16(12)22-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,17,21)(H2,18,19,20).
What are the key properties of 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).