N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide

C19H15F4NO3S — CID 24772158

IUPACN-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)C3CC3)c21
InChIInChI=1S/C19H15F4NO3S/c1-8-13-12(7-27-8)28-18(15(13)16(25)9-5-6-9)24-17(26)14-10(19(21,22)23)3-2-4-11(14)20/h2-4,8-9H,5-7H2,1H3,(H,24,26)
InChIKeyUCSMMTAMDVIONV-UHFFFAOYSA-N
MW413.39 g/mol
LogP5.34
Rot. Bonds4

About N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 24772158) has the molecular formula C19H15F4NO3S and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID24772158
Molecular FormulaC19H15F4NO3S
Molecular Weight413.39 g/mol
Exact Mass413.07
IUPAC NameN-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)C3CC3)c21
InChIInChI=1S/C19H15F4NO3S/c1-8-13-12(7-27-8)28-18(15(13)16(25)9-5-6-9)24-17(26)14-10(19(21,22)23)3-2-4-11(14)20/h2-4,8-9H,5-7H2,1H3,(H,24,26)
InChIKeyUCSMMTAMDVIONV-UHFFFAOYSA-N
XLogP5.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 24772155
2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
CID 24772222
N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
CID 142393497
4-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)-11-oxa-3-thiatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 25007403
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
4-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-11-oxa-3-thiatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
CID 25007404
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid
CID 67300957
N-[3-(cyclopropanecarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-(trifluoromethyl)thiophene-3-carboxamide
CID 126838682
2-tert-butyl-6-fluoro-N-methylbenzamide
CID 71273490
2-fluoro-6-(trifluoromethyl)-N-(1,3,3-trimethyl-1,2-dihydroinden-2-yl)benzamide
CID 144874618
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 24772158) is N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide is CC1OCc2sc(NC(=O)c3c(F)cccc3C(F)(F)F)c(C(=O)C3CC3)c21.
What is the InChIKey of N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is UCSMMTAMDVIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO3S/c1-8-13-12(7-27-8)28-18(15(13)16(25)9-5-6-9)24-17(26)14-10(19(21,22)23)3-2-4-11(14)20/h2-4,8-9H,5-7H2,1H3,(H,24,26).
What are the key properties of N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 413.39 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 24772158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).