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

C15H11ClN2O3S2 — CID 54728872

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2ccccc2Cl)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H11ClN2O3S2/c16-8-4-2-1-3-7(8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20)
InChIKeyKFPKERRRMFIBAF-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.34
Rot. Bonds4

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

2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728872) has the molecular formula C15H11ClN2O3S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728872
Molecular FormulaC15H11ClN2O3S2
Molecular Weight366.85 g/mol
Exact Mass365.99
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCc2ccccc2Cl)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C15H11ClN2O3S2/c16-8-4-2-1-3-7(8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20)
InChIKeyKFPKERRRMFIBAF-UHFFFAOYSA-N
XLogP3.34
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-hydroxy-5-oxo-2-(2-phenylethylsulfanyl)-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54728864
2-[(4-bromophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54728842
7-hydroxy-5-oxo-2-prop-2-enylsulfanyl-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54737210
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
propan-2-yl 2-[(3-carbamoyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetate
CID 54734688
7-hydroxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54737154
2-benzylsulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
CID 54691588
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-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-amino-4-[(2-chlorophenyl)methylsulfanylmethyl]benzamide
CID 103288323
S-[(2-chlorophenyl)methyl] carbamothioate
CID 174461551

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728872) is 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCc2ccccc2Cl)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is KFPKERRRMFIBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S2/c16-8-4-2-1-3-7(8)6-22-15-11(14(17)21)12-13(23-15)9(19)5-10(20)18-12/h1-5H,6H2,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).