N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide

C11H11FN2OS — CID 7964655

IUPACN-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESN#CCCNC(=O)CSc1ccccc1F
InChIInChI=1S/C11H11FN2OS/c12-9-4-1-2-5-10(9)16-8-11(15)14-7-3-6-13/h1-2,4-5H,3,7-8H2,(H,14,15)
InChIKeyVBVFWOCLJMOESJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.95
Rot. Bonds5

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

N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 7964655) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID7964655
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC NameN-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESN#CCCNC(=O)CSc1ccccc1F
InChIInChI=1S/C11H11FN2OS/c12-9-4-1-2-5-10(9)16-8-11(15)14-7-3-6-13/h1-2,4-5H,3,7-8H2,(H,14,15)
InChIKeyVBVFWOCLJMOESJ-UHFFFAOYSA-N
XLogP1.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 24980954
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 4794340
4-(3,4-Difluorophenyl)sulfanylazetidin-2-one
CID 118526691
Acetamide, N-(2-(dimethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215578
Acetamide, N-(2-(diethylamino)ethyl)-2-(phenylthio)-, monohydrochloride
CID 215580
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
2-[(4-fluorophenyl)sulfanyl]-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2765499
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 7964655) is N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide is N#CCCNC(=O)CSc1ccccc1F.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is VBVFWOCLJMOESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-4-1-2-5-10(9)16-8-11(15)14-7-3-6-13/h1-2,4-5H,3,7-8H2,(H,14,15).
What are the key properties of N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 238.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).