2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide

C15H19F2NO2S — CID 97095894

IUPAC2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1CCCO1
InChIInChI=1S/C15H19F2NO2S/c1-2-11(12-7-5-9-20-12)18-14(19)10-6-3-4-8-13(10)21-15(16)17/h3-4,6,8,11-12,15H,2,5,7,9H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyOLPWFWUIMHWBPH-RYUDHWBXSA-N
MW315.38 g/mol
LogP3.69
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide

2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide (PubChem CID 97095894) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide
PubChem CID97095894
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC Name2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1CCCO1
InChIInChI=1S/C15H19F2NO2S/c1-2-11(12-7-5-9-20-12)18-14(19)10-6-3-4-8-13(10)21-15(16)17/h3-4,6,8,11-12,15H,2,5,7,9H2,1H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyOLPWFWUIMHWBPH-RYUDHWBXSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]benzamide
CID 97095896
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748
2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279883
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanedioic acid
CID 78910261
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 55678862
N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99622851
N-[1-(oxolan-2-yl)propyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 102561402
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide (CID 97095894) is 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide is CC[C@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1CCCO1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide?
The InChIKey is OLPWFWUIMHWBPH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c1-2-11(12-7-5-9-20-12)18-14(19)10-6-3-4-8-13(10)21-15(16)17/h3-4,6,8,11-12,15H,2,5,7,9H2,1H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide?
2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide has a molecular weight of 315.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]propyl]benzamide is sourced from PubChem (CID 97095894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).