(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide

C12H15FN2O2S — CID 2591684

IUPAC(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m1/s1
InChIKeySVIRKMGKYAEUNA-MRVPVSSYSA-N
MW270.33 g/mol
LogP2.15
Rot. Bonds4

About (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide

(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 2591684) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
PubChem CID2591684
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@@H](C)Sc1ccccc1F
InChIInChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m1/s1
InChIKeySVIRKMGKYAEUNA-MRVPVSSYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide (CID 2591684) is (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@@H](C)Sc1ccccc1F.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is SVIRKMGKYAEUNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-3-14-12(17)15-11(16)8(2)18-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H2,14,15,16,17)/t8-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide?
(2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 2591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).