2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide

C21H24N2O2S — CID 19628412

IUPAC2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H24N2O2S/c24-20(22-21(26)23-14-7-2-8-15-23)18-11-5-6-12-19(18)25-16-13-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,24,26)
InChIKeyBNISYDJXIXBXNT-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide

2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide (PubChem CID 19628412) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide.

Molecular Properties

Compound Name2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide
PubChem CID19628412
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCCCC1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H24N2O2S/c24-20(22-21(26)23-14-7-2-8-15-23)18-11-5-6-12-19(18)25-16-13-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,24,26)
InChIKeyBNISYDJXIXBXNT-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide 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

2-(2-phenylethoxy)-N-(pyrrolidine-1-carbothioyl)benzamide
CID 19628425
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628496
N-(azepane-1-carbothioyl)-4-(2-phenylethoxy)benzamide
CID 4956874
2-hexoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4942565
N-cyclohexyl-2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628457
2-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4941482
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378
2-phenylethyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17356028
N-[(2-bromophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628446
N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628456
ethyl 1-[(2-butoxybenzoyl)carbamothioyl]piperidine-4-carboxylate
CID 17231052

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide?
The IUPAC name of 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide (CID 19628412) is 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide.
What is the SMILES notation for 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide?
The canonical SMILES for 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide is O=C(NC(=S)N1CCCCC1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide?
The InChIKey is BNISYDJXIXBXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20(22-21(26)23-14-7-2-8-15-23)18-11-5-6-12-19(18)25-16-13-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,24,26).
What are the key properties of 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide?
2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide is sourced from PubChem (CID 19628412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).