N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide

C11H13FN2O2S — CID 2591666

IUPACN-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-2-13-11(16)14-10(15)7-17-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyUTYZFTZBJUVUNL-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.76
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591666) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591666
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-2-13-11(16)14-10(15)7-17-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyUTYZFTZBJUVUNL-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591666) is N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide is CCNC(=O)NC(=O)CSc1ccccc1F.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is UTYZFTZBJUVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-2-13-11(16)14-10(15)7-17-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 256.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).