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

C14H19F2NO2S — CID 61246795

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(2)5-10(7-18)17-14(19)8-20-11-3-4-12(15)13(16)6-11/h3-4,6,9-10,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyCVTXIVXZXQKSIW-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.58
Rot. Bonds7

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

2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61246795) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61246795
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-9(2)5-10(7-18)17-14(19)8-20-11-3-4-12(15)13(16)6-11/h3-4,6,9-10,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyCVTXIVXZXQKSIW-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61246795) is 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is CVTXIVXZXQKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9(2)5-10(7-18)17-14(19)8-20-11-3-4-12(15)13(16)6-11/h3-4,6,9-10,18H,5,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61246795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).