4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

C15H15F2NO2S2 — CID 111452036

IUPAC4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(SC(F)F)cc1)c1ccsc1
InChIInChI=1S/C15H15F2NO2S2/c1-15(20,11-6-7-21-8-11)9-18-13(19)10-2-4-12(5-3-10)22-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19)
InChIKeyMIUVDGPPTMXYLF-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.70
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (PubChem CID 111452036) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
PubChem CID111452036
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC Name4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(SC(F)F)cc1)c1ccsc1
InChIInChI=1S/C15H15F2NO2S2/c1-15(20,11-6-7-21-8-11)9-18-13(19)10-2-4-12(5-3-10)22-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19)
InChIKeyMIUVDGPPTMXYLF-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111452101
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
CID 111452292
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (CID 111452036) is 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(SC(F)F)cc1)c1ccsc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The InChIKey is MIUVDGPPTMXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c1-15(20,11-6-7-21-8-11)9-18-13(19)10-2-4-12(5-3-10)22-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 111452036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).