(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide

C12H13F2NO2S — CID 8701259

IUPAC(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCO1
InChIInChI=1S/C12H13F2NO2S/c13-12(14)18-9-5-3-8(4-6-9)15-11(16)10-2-1-7-17-10/h3-6,10,12H,1-2,7H2,(H,15,16)/t10-/m1/s1
InChIKeyOKZUOZIBOSEKJQ-SNVBAGLBSA-N
MW273.30 g/mol
LogP3.12
Rot. Bonds4

About (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide

(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide (PubChem CID 8701259) has the molecular formula C12H13F2NO2S and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
PubChem CID8701259
Molecular FormulaC12H13F2NO2S
Molecular Weight273.30 g/mol
Exact Mass273.06
IUPAC Name(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCO1
InChIInChI=1S/C12H13F2NO2S/c13-12(14)18-9-5-3-8(4-6-9)15-11(16)10-2-1-7-17-10/h3-6,10,12H,1-2,7H2,(H,15,16)/t10-/m1/s1
InChIKeyOKZUOZIBOSEKJQ-SNVBAGLBSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]oxolane-2-carboxamide
CID 24658670
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978159
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011380
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide (CID 8701259) is (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide?
The InChIKey is OKZUOZIBOSEKJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F2NO2S/c13-12(14)18-9-5-3-8(4-6-9)15-11(16)10-2-1-7-17-10/h3-6,10,12H,1-2,7H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide?
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 8701259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).