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

C10H11FN2O2S — CID 2591618

IUPAC2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C10H11FN2O2S/c1-12-10(15)13-9(14)6-16-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyQHWQCGYPSAGJPA-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.37
Rot. Bonds3

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

2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 2591618) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID2591618
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C10H11FN2O2S/c1-12-10(15)13-9(14)6-16-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyQHWQCGYPSAGJPA-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13250272
N-carbamoyl-2-phenylsulfanylacetamide
CID 2470668
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CID 2592012
2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
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-methyl-2-(phenylsulfanyl)acetamide
CID 965608
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-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 2591618) is 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is QHWQCGYPSAGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-12-10(15)13-9(14)6-16-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 242.27 g/mol, XLogP of 1.37, 3 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-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2591618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).