2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C14H20FNO2S — CID 103945789

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-3-14(2,8-9-17)16-13(18)10-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyKLAZVQJRLIPYRE-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 103945789) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID103945789
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-3-14(2,8-9-17)16-13(18)10-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyKLAZVQJRLIPYRE-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-fluorophenyl)thio)-N-((1-(hydroxymethyl)cyclopropyl)methyl)acetamide
CID 49739144
2-(2,4-difluorophenyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 8771270
2-(3,4-difluorophenyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 24483032
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43390142
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43390172
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390373
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390403
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390571
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390600
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
2-(2,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417730
2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417731

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 103945789) is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is KLAZVQJRLIPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-3-14(2,8-9-17)16-13(18)10-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 285.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103945789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).