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

C13H17FN2O2S — CID 49154270

IUPACN-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFRBCCKAUZVTTPV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds5

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

N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (PubChem CID 49154270) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
PubChem CID49154270
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCCNC(=O)NC(=O)CSC(C)c1ccccc1F
InChIInChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyFRBCCKAUZVTTPV-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
N-[2-(tert-butylthio)ethyl]-3-(4-fluorophenyl)acrylamide
CID 2287752
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
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
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

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (CID 49154270) is N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is CCNC(=O)NC(=O)CSC(C)c1ccccc1F.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The InChIKey is FRBCCKAUZVTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-3-15-13(18)16-12(17)8-19-9(2)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is sourced from PubChem (CID 49154270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).