[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H15F2NO3S — CID 17476869

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-8-10(2-3-12(13)22-16(17)18)15(20)19-6-4-14-11(9-19)5-7-23-14/h2-3,5,7-8,16H,4,6,9H2,1H3
InChIKeyUOHWJXUXBATSQW-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.56
Rot. Bonds4

About [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 17476869) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID17476869
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3S/c1-21-13-8-10(2-3-12(13)22-16(17)18)15(20)19-6-4-14-11(9-19)5-7-23-14/h2-3,5,7-8,16H,4,6,9H2,1H3
InChIKeyUOHWJXUXBATSQW-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 25371424
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
CID 30455552
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24606467
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121154289
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(difluoromethoxy)-3-methoxyphenyl]methanone
CID 120657561
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
1-[2-[4-[4-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55826399
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 55502904
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 17476869) is [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is COc1cc(C(=O)N2CCc3sccc3C2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is UOHWJXUXBATSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-21-13-8-10(2-3-12(13)22-16(17)18)15(20)19-6-4-14-11(9-19)5-7-23-14/h2-3,5,7-8,16H,4,6,9H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 339.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 17476869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).