2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide

C12H15FN2O2S — CID 49154329

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSC(C)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(9-5-3-4-6-10(9)13)18-7-11(16)15-12(17)14-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyVXQIMEIUKLQGAP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide (PubChem CID 49154329) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide
PubChem CID49154329
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSC(C)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(9-5-3-4-6-10(9)13)18-7-11(16)15-12(17)14-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyVXQIMEIUKLQGAP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
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
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498564
N-carbamoyl-3-[1-(2,6-difluorophenyl)ethylsulfanyl]propanamide
CID 47321650
N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
CID 47321656
N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
CID 47321719
N-carbamoyl-3-[1-(2,4-difluorophenyl)ethylsulfanyl]propanamide
CID 47359446
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
CID 47408792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide (CID 49154329) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSC(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide?
The InChIKey is VXQIMEIUKLQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-8(9-5-3-4-6-10(9)13)18-7-11(16)15-12(17)14-2/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 49154329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).