2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

C18H16FN3O3S2 — CID 86266918

IUPAC2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)CSc3ccc(F)cc3)sc3c2CCOC3)n1
InChIInChI=1S/C18H16FN3O3S2/c1-10-20-17(25-22-10)16-13-6-7-24-8-14(13)27-18(16)21-15(23)9-26-12-4-2-11(19)3-5-12/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeyNYRHJZAWHUNXLX-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (PubChem CID 86266918) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
PubChem CID86266918
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)CSc3ccc(F)cc3)sc3c2CCOC3)n1
InChIInChI=1S/C18H16FN3O3S2/c1-10-20-17(25-22-10)16-13-6-7-24-8-14(13)27-18(16)21-15(23)9-26-12-4-2-11(19)3-5-12/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeyNYRHJZAWHUNXLX-UHFFFAOYSA-N
XLogP4.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide with MolForge

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Related Compounds

2-((4-fluorophenyl)thio)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)acetamide
CID 86264863
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 86266905
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 86266906
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 86266922
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H,5H,7H-thieno[2,3-c]pyran-2-yl]-2-(trifluoromethyl)benzamide
CID 86266911
2-(2-fluorophenoxy)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266913
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814341
3-(3-trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylamine
CID 118158529
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexanecarboxamide
CID 121281345
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
CID 121281464
2-N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclohexane-1,2-dicarboxamide
CID 123790323
2-formyl-N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
CID 145685297

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (CID 86266918) is 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is Cc1noc(-c2c(NC(=O)CSc3ccc(F)cc3)sc3c2CCOC3)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The InChIKey is NYRHJZAWHUNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-10-20-17(25-22-10)16-13-6-7-24-8-14(13)27-18(16)21-15(23)9-26-12-4-2-11(19)3-5-12/h2-5H,6-9H2,1H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is sourced from PubChem (CID 86266918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).