2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide

C19H19FN2O2S — CID 60518308

IUPAC2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)CSc1ccc(C#N)cc1
InChIInChI=1S/C19H19FN2O2S/c1-22(11-2-12-24-17-7-5-16(20)6-8-17)19(23)14-25-18-9-3-15(13-21)4-10-18/h3-10H,2,11-12,14H2,1H3
InChIKeyYLGDJIKDEODIDB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.72
Rot. Bonds8

About 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide

2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide (PubChem CID 60518308) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
PubChem CID60518308
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)CSc1ccc(C#N)cc1
InChIInChI=1S/C19H19FN2O2S/c1-22(11-2-12-24-17-7-5-16(20)6-8-17)19(23)14-25-18-9-3-15(13-21)4-10-18/h3-10H,2,11-12,14H2,1H3
InChIKeyYLGDJIKDEODIDB-UHFFFAOYSA-N
XLogP3.72
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
2-(4-ethoxyphenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202563
2-(4-cyanophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111542889
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 60517598
N-[3-(4-fluorophenoxy)propyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119733058
2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 134049948

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide (CID 60518308) is 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide is CN(CCCOc1ccc(F)cc1)C(=O)CSc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
The InChIKey is YLGDJIKDEODIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-22(11-2-12-24-17-7-5-16(20)6-8-17)19(23)14-25-18-9-3-15(13-21)4-10-18/h3-10H,2,11-12,14H2,1H3.
What are the key properties of 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide?
2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide has a molecular weight of 358.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)sulfanyl-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide is sourced from PubChem (CID 60518308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).