1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide

C14H15F3N2O4S — CID 18140060

IUPAC1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H15F3N2O4S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7-8H2,(H,18,20)(H,19,21)
InChIKeyVETWEXCXQPDHGD-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.35
Rot. Bonds4

About 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide

1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide (PubChem CID 18140060) has the molecular formula C14H15F3N2O4S and a molecular weight of 364.35 g/mol. Its IUPAC name is 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
PubChem CID18140060
Molecular FormulaC14H15F3N2O4S
Molecular Weight364.35 g/mol
Exact Mass364.07
IUPAC Name1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H15F3N2O4S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7-8H2,(H,18,20)(H,19,21)
InChIKeyVETWEXCXQPDHGD-UHFFFAOYSA-N
XLogP1.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-sulfamoyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43056185
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
N-(3-acetylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110861051
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856
N-[3-(methylaminomethyl)phenyl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119441093
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 126832675
methyl 3-[2-[3-[(1,1-dioxothiolane-3-carbonyl)amino]phenyl]ethynyl]benzoate
CID 42941740
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide (CID 18140060) is 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide is O=C(NCC(F)(F)F)c1cccc(NC(=O)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide?
The InChIKey is VETWEXCXQPDHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-24(22,23)7-10/h1-3,6,10H,4-5,7-8H2,(H,18,20)(H,19,21).
What are the key properties of 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide?
1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 18140060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).