2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide

C15H15F2NO2S2 — CID 111451790

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C15H15F2NO2S2/c1-15(20,10-4-5-21-7-10)9-18-14(19)8-22-11-2-3-12(16)13(17)6-11/h2-7,20H,8-9H2,1H3,(H,18,19)
InChIKeySOLRTQSNABUKLY-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide (PubChem CID 111451790) has the molecular formula C15H15F2NO2S2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
PubChem CID111451790
Molecular FormulaC15H15F2NO2S2
Molecular Weight343.42 g/mol
Exact Mass343.05
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C15H15F2NO2S2/c1-15(20,10-4-5-21-7-10)9-18-14(19)8-22-11-2-3-12(16)13(17)6-11/h2-7,20H,8-9H2,1H3,(H,18,19)
InChIKeySOLRTQSNABUKLY-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
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
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-3-enamide
CID 111720045
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide (CID 111451790) is 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide is CC(O)(CNC(=O)CSc1ccc(F)c(F)c1)c1ccsc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
The InChIKey is SOLRTQSNABUKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S2/c1-15(20,10-4-5-21-7-10)9-18-14(19)8-22-11-2-3-12(16)13(17)6-11/h2-7,20H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide is sourced from PubChem (CID 111451790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).