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

C13H17FN2O2S — CID 2591691

IUPAC2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-9(2)7-15-13(18)16-12(17)8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQVWZGQMEEFGEFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds5

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

2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 2591691) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID2591691
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-9(2)7-15-13(18)16-12(17)8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyQVWZGQMEEFGEFW-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (CID 2591691) is 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is QVWZGQMEEFGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-9(2)7-15-13(18)16-12(17)8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 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-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 2591691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).