2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide

C11H14FNO2S — CID 43391201

IUPAC2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-8(14)6-13-11(15)7-16-10-5-3-2-4-9(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyXJUNMPPJJMTJOQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.41
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide (PubChem CID 43391201) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
PubChem CID43391201
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C11H14FNO2S/c1-8(14)6-13-11(15)7-16-10-5-3-2-4-9(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyXJUNMPPJJMTJOQ-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
Phenylmercaptoacetylglycine
CID 676748
1-[2-(4-Fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
CID 2826290
2-(2,5-difluorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 45847889
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
2-((4-fluorophenyl)thio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787594
N-[(S)-2-hydroxy-3-(2-oxo-1,2-dihydro-1-pyridyl)propyl](p-fluorophenylthio)acetamide
CID 97428926
N-(3-methoxypropyl)-2-(phenylsulfanyl)acetamide
CID 2271004
(R)-2-Acetamido-3-((4-fluorophenyl)thio)propanoic acid
CID 40427205
N-ethyl-2-(phenylthio)propanamide
CID 2889212

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide (CID 43391201) is 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
The InChIKey is XJUNMPPJJMTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8(14)6-13-11(15)7-16-10-5-3-2-4-9(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide has a molecular weight of 243.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 43391201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).