N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide

C16H19FN2OS — CID 94814821

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-11(13-5-3-4-6-14(13)17)21-9-15(20)19-16(2,10-18)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3,(H,19,20)/t11-,16-/m0/s1
InChIKeyPCKOXIRVSRYSTD-ZBEGNZNMSA-N
MW306.41 g/mol
LogP3.43
Rot. Bonds6

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide (PubChem CID 94814821) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide
PubChem CID94814821
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1F
InChIInChI=1S/C16H19FN2OS/c1-11(13-5-3-4-6-14(13)17)21-9-15(20)19-16(2,10-18)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3,(H,19,20)/t11-,16-/m0/s1
InChIKeyPCKOXIRVSRYSTD-ZBEGNZNMSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide 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-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide (CID 94814821) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide is C[C@H](SCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide?
The InChIKey is PCKOXIRVSRYSTD-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-11(13-5-3-4-6-14(13)17)21-9-15(20)19-16(2,10-18)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3,(H,19,20)/t11-,16-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide has a molecular weight of 306.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetamide is sourced from PubChem (CID 94814821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).