4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one

C15H12ClNOS2 — CID 135386544

IUPAC4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(SCCc2ccc(Cl)cc2)c2ccsc12
InChIInChI=1S/C15H12ClNOS2/c16-11-3-1-10(2-4-11)5-7-19-13-9-17-15(18)14-12(13)6-8-20-14/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyZHCRCDMKAOMBBJ-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.58
Rot. Bonds4

About 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one

4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one (PubChem CID 135386544) has the molecular formula C15H12ClNOS2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one
PubChem CID135386544
Molecular FormulaC15H12ClNOS2
Molecular Weight321.85 g/mol
Exact Mass321.00
IUPAC Name4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(SCCc2ccc(Cl)cc2)c2ccsc12
InChIInChI=1S/C15H12ClNOS2/c16-11-3-1-10(2-4-11)5-7-19-13-9-17-15(18)14-12(13)6-8-20-14/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyZHCRCDMKAOMBBJ-UHFFFAOYSA-N
XLogP4.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methylsulfanyl-5H-thieno[3,2-c]pyridin-4-one
CID 119091655
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
CID 101473757
4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one
CID 68839140
1-bromo-4-[2-(4-chlorophenyl)ethylsulfanyl]benzene
CID 164673435
6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 69441706
6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244953
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385
7-chloro-5H-thieno[2,3-d]pyridazin-4-one
CID 131850485
4-chloro-2-(2-thiophen-3-ylethylsulfanyl)aniline
CID 79528136
9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689535
1-[2-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 6472394
7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472349

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one (CID 135386544) is 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one is O=c1[nH]cc(SCCc2ccc(Cl)cc2)c2ccsc12.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one?
The InChIKey is ZHCRCDMKAOMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS2/c16-11-3-1-10(2-4-11)5-7-19-13-9-17-15(18)14-12(13)6-8-20-14/h1-4,6,8-9H,5,7H2,(H,17,18).
What are the key properties of 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one?
4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one has a molecular weight of 321.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylsulfanyl]-6H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 135386544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).