N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide

C19H16F4N2O3S — CID 24772155

IUPACN-[3-(azetidine-1-carbonyl)-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)N3CCC3)c21
InChIInChI=1S/C19H16F4N2O3S/c1-9-13-12(8-28-9)29-17(15(13)18(27)25-6-3-7-25)24-16(26)14-10(19(21,22)23)4-2-5-11(14)20/h2,4-5,9H,3,6-8H2,1H3,(H,24,26)
InChIKeyNRGMKYCQGMJWNW-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.60
Rot. Bonds3

About N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 24772155) has the molecular formula C19H16F4N2O3S and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID24772155
Molecular FormulaC19H16F4N2O3S
Molecular Weight428.41 g/mol
Exact Mass428.08
IUPAC NameN-[3-(azetidine-1-carbonyl)-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)N3CCC3)c21
InChIInChI=1S/C19H16F4N2O3S/c1-9-13-12(8-28-9)29-17(15(13)18(27)25-6-3-7-25)24-16(26)14-10(19(21,22)23)4-2-5-11(14)20/h2,4-5,9H,3,6-8H2,1H3,(H,24,26)
InChIKeyNRGMKYCQGMJWNW-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 24772158
2-fluoro-N-[3-(furan-2-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-6-(trifluoromethyl)benzamide
CID 24772222
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
CID 142393497
4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid
CID 67300957
[2-fluoro-6-(trifluoromethyl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 5092390
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
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
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
N-(6-acetyl-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,6-difluorobenzamide;ethane
CID 178170454
N-[(6S)-6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide
CID 2283963
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685

Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 24772155) is N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(azetidine-1-carbonyl)-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)N3CCC3)c21.
What is the InChIKey of N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is NRGMKYCQGMJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3S/c1-9-13-12(8-28-9)29-17(15(13)18(27)25-6-3-7-25)24-16(26)14-10(19(21,22)23)4-2-5-11(14)20/h2,4-5,9H,3,6-8H2,1H3,(H,24,26).
What are the key properties of N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 24772155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).