N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide

C17H16F3NO3S — CID 14986508

IUPACN-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(C)Oc2ccsc2C(NC(=O)c2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C17H16F3NO3S/c1-16(2)14(22)12(13-11(24-16)7-8-25-13)21-15(23)9-3-5-10(6-4-9)17(18,19)20/h3-8,12,14,22H,1-2H3,(H,21,23)
InChIKeyGBNXAVVAMCQFEN-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.77
Rot. Bonds2

About N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide

N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide (PubChem CID 14986508) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide
PubChem CID14986508
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC NameN-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide
SMILESCC1(C)Oc2ccsc2C(NC(=O)c2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C17H16F3NO3S/c1-16(2)14(22)12(13-11(24-16)7-8-25-13)21-15(23)9-3-5-10(6-4-9)17(18,19)20/h3-8,12,14,22H,1-2H3,(H,21,23)
InChIKeyGBNXAVVAMCQFEN-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide (CID 14986508) is N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide is CC1(C)Oc2ccsc2C(NC(=O)c2ccc(C(F)(F)F)cc2)C1O.
What is the InChIKey of N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is GBNXAVVAMCQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c1-16(2)14(22)12(13-11(24-16)7-8-25-13)21-15(23)9-3-5-10(6-4-9)17(18,19)20/h3-8,12,14,22H,1-2H3,(H,21,23).
What are the key properties of N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide?
N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 371.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 14986508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).