4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide

C12H13F3N2O2S — CID 66239424

IUPAC4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)20-10-4-2-1-3-9(10)17-11(18)7-5-19-6-8(7)16/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyUGHDQSIRUPYDLE-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.21
Rot. Bonds3

About 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide

4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide (PubChem CID 66239424) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
PubChem CID66239424
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Name4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)20-10-4-2-1-3-9(10)17-11(18)7-5-19-6-8(7)16/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyUGHDQSIRUPYDLE-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66239441
4-amino-N-(2,3-dimethylphenyl)oxolane-3-carboxamide
CID 66240994
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
4-amino-N-(2-chloro-3-methylphenyl)oxolane-3-carboxamide
CID 114252127
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 61265978
4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 66240824
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide (CID 66239424) is 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide?
The InChIKey is UGHDQSIRUPYDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)20-10-4-2-1-3-9(10)17-11(18)7-5-19-6-8(7)16/h1-4,7-8H,5-6,16H2,(H,17,18).
What are the key properties of 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide?
4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethylsulfanyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66239424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).