2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide

C12H15FN2O2S — CID 2591492

IUPAC2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyXTOYIWRVZFGVQX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2591492) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2591492
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyXTOYIWRVZFGVQX-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-carbamoyl-2-phenylsulfanylacetamide
CID 2470668
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CID 2592012
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
6-Amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
CID 2331013
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423
N-[(2S)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865425
N-(cyclopentylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591620
1-[2-(4-Fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
CID 2826290
N-carbamoyl-2-(4-fluorophenyl)sulfanylpropanamide
CID 3623171

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide (CID 2591492) is 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is XTOYIWRVZFGVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.15, 4 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2591492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).