5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C18H16F3NO3S2 — CID 75452759

IUPAC5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCc2ccccc21)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C18H16F3NO3S2/c19-18(20,21)17(7-5-11-3-1-2-4-13(11)17)22-16(23)15-9-12-10-27(24,25)8-6-14(12)26-15/h1-4,9H,5-8,10H2,(H,22,23)
InChIKeyVGEPVVZZTADXIM-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.35
Rot. Bonds2

About 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 75452759) has the molecular formula C18H16F3NO3S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID75452759
Molecular FormulaC18H16F3NO3S2
Molecular Weight415.46 g/mol
Exact Mass415.05
IUPAC Name5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCc2ccccc21)c1cc2c(s1)CCS(=O)(=O)C2
InChIInChI=1S/C18H16F3NO3S2/c19-18(20,21)17(7-5-11-3-1-2-4-13(11)17)22-16(23)15-9-12-10-27(24,25)8-6-14(12)26-15/h1-4,9H,5-8,10H2,(H,22,23)
InChIKeyVGEPVVZZTADXIM-UHFFFAOYSA-N
XLogP3.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide with MolForge

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Related Compounds

2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 84802884
1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)cyclobutane-1-carboxylic acid
CID 84813843
[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227528
N-[1-(bromomethyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114314246
N-butan-2-yl-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 20882715
1-(1-methyl-1,2,4-triazol-3-yl)-3-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]urea
CID 146105255
N-[1-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115877894
N-(1-carbamothioylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 61120338
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
5,5-dioxo-N-(thiophen-2-ylmethyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
CID 3238829
[(2S,5R)-2,5-dimethylpiperidin-1-yl]-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 97227500
N-(2-chloro-1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114300255

Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 75452759) is 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is O=C(NC1(C(F)(F)F)CCc2ccccc21)c1cc2c(s1)CCS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is VGEPVVZZTADXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3S2/c19-18(20,21)17(7-5-11-3-1-2-4-13(11)17)22-16(23)15-9-12-10-27(24,25)8-6-14(12)26-15/h1-4,9H,5-8,10H2,(H,22,23).
What are the key properties of 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-[1-(trifluoromethyl)-2,3-dihydroinden-1-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 75452759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).