2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide

C13H16F2N2O2S — CID 47408792

IUPAC2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSC(C)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O2S/c1-3-16-13(19)17-11(18)7-20-8(2)12-9(14)5-4-6-10(12)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyBCYWKGPXXAOSGC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide

2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide (PubChem CID 47408792) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
PubChem CID47408792
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSC(C)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O2S/c1-3-16-13(19)17-11(18)7-20-8(2)12-9(14)5-4-6-10(12)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyBCYWKGPXXAOSGC-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
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
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498564
2-((Bis(4-fluorophenyl)methyl)thio)-N-propylacetamide
CID 76314642
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
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide (CID 47408792) is 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSC(C)c1c(F)cccc1F.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is BCYWKGPXXAOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c1-3-16-13(19)17-11(18)7-20-8(2)12-9(14)5-4-6-10(12)15/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide?
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 47408792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).