N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide

C14H15FN2OS — CID 4819425

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC(C#N)(NC(=O)CSc1ccccc1F)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-14(9-16,10-6-7-10)17-13(18)8-19-12-5-3-2-4-11(12)15/h2-5,10H,6-8H2,1H3,(H,17,18)
InChIKeyVUKWOUDRLBTDLI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.73
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 4819425) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID4819425
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCC(C#N)(NC(=O)CSc1ccccc1F)C1CC1
InChIInChI=1S/C14H15FN2OS/c1-14(9-16,10-6-7-10)17-13(18)8-19-12-5-3-2-4-11(12)15/h2-5,10H,6-8H2,1H3,(H,17,18)
InChIKeyVUKWOUDRLBTDLI-UHFFFAOYSA-N
XLogP2.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 4819425) is N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide is CC(C#N)(NC(=O)CSc1ccccc1F)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is VUKWOUDRLBTDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-14(9-16,10-6-7-10)17-13(18)8-19-12-5-3-2-4-11(12)15/h2-5,10H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 278.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4819425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).