2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C16H14F3NO2S — CID 155657748

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)10-3-1-2-9(6-10)7-12-14(15(20)21)11-4-5-22-8-13(11)23-12/h1-3,6H,4-5,7-8H2,(H2,20,21)
InChIKeyIKYPZWKKOJBTIQ-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.53
Rot. Bonds3

About 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 155657748) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID155657748
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)10-3-1-2-9(6-10)7-12-14(15(20)21)11-4-5-22-8-13(11)23-12/h1-3,6H,4-5,7-8H2,(H2,20,21)
InChIKeyIKYPZWKKOJBTIQ-UHFFFAOYSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide with MolForge

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Related Compounds

1-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162603639
4-[(1R)-1-[[hydroxy-[2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-yl]methyl]amino]ethyl]benzoic acid
CID 155274255
2-[[4-(trifluoromethyl)phenyl]methylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 172747793
2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450288
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
CID 143453509
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
2,5-dichloro-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 45140788
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 155657748) is 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NC(=O)c1c(Cc2cccc(C(F)(F)F)c2)sc2c1CCOC2.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is IKYPZWKKOJBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-16(18,19)10-3-1-2-9(6-10)7-12-14(15(20)21)11-4-5-22-8-13(11)23-12/h1-3,6H,4-5,7-8H2,(H2,20,21).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 155657748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).