N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide

C15H20N2O2S — CID 2976563

IUPACN-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-19-13-8-6-12(7-9-13)16-14(18)15(20)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,18)
InChIKeyYENFIKBVQBDGHX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.84
Rot. Bonds3

About N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide

N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide (PubChem CID 2976563) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
PubChem CID2976563
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-19-13-8-6-12(7-9-13)16-14(18)15(20)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,18)
InChIKeyYENFIKBVQBDGHX-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
CID 2975664
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 1299846
N-(4-nitrophenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17386361
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide (CID 2976563) is N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide is CCOc1ccc(NC(=O)C(=S)N2CCCCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide?
The InChIKey is YENFIKBVQBDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-19-13-8-6-12(7-9-13)16-14(18)15(20)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide?
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 2976563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).