N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide

C12H15FN2O2S — CID 47321719

IUPACN-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCC(=O)NC(N)=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(9-4-2-3-5-10(9)13)18-7-6-11(16)15-12(14)17/h2-5,8H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyHWLZPNCFKGZSAA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds5

About N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide

N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide (PubChem CID 47321719) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
PubChem CID47321719
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
SMILESCC(SCCC(=O)NC(N)=O)c1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-8(9-4-2-3-5-10(9)13)18-7-6-11(16)15-12(14)17/h2-5,8H,6-7H2,1H3,(H3,14,15,16,17)
InChIKeyHWLZPNCFKGZSAA-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The IUPAC name of N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide (CID 47321719) is N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide is CC(SCCC(=O)NC(N)=O)c1ccccc1F.
What is the InChIKey of N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
The InChIKey is HWLZPNCFKGZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-8(9-4-2-3-5-10(9)13)18-7-6-11(16)15-12(14)17/h2-5,8H,6-7H2,1H3,(H3,14,15,16,17).
What are the key properties of N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide?
N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide is sourced from PubChem (CID 47321719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).