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

C11H13FN2O2S — CID 49154336

IUPACN-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)NC(N)=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-7(8-4-2-3-5-9(8)12)17-6-10(15)14-11(13)16/h2-5,7H,6H2,1H3,(H3,13,14,15,16)
InChIKeyYMBLUQVYRAHMNK-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.81
Rot. Bonds4

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

N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (PubChem CID 49154336) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
PubChem CID49154336
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)NC(N)=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-7(8-4-2-3-5-9(8)12)17-6-10(15)14-11(13)16/h2-5,7H,6H2,1H3,(H3,13,14,15,16)
InChIKeyYMBLUQVYRAHMNK-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide (CID 49154336) is N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is CC(SCC(=O)NC(N)=O)c1ccccc1F.
What is the InChIKey of N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
The InChIKey is YMBLUQVYRAHMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-7(8-4-2-3-5-9(8)12)17-6-10(15)14-11(13)16/h2-5,7H,6H2,1H3,(H3,13,14,15,16).
What are the key properties of N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide?
N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide has a molecular weight of 256.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide is sourced from PubChem (CID 49154336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).