N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide

C15H20N2O2S — CID 61120116

IUPACN-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
SMILESNC(=S)C1(NC(=O)CCOc2ccccc2)CCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(20)15(9-4-5-10-15)17-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,16,20)(H,17,18)
InChIKeyHAHJYOAYOISEND-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.17
Rot. Bonds6

About N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide

N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide (PubChem CID 61120116) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
PubChem CID61120116
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
SMILESNC(=S)C1(NC(=O)CCOc2ccccc2)CCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(20)15(9-4-5-10-15)17-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,16,20)(H,17,18)
InChIKeyHAHJYOAYOISEND-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide 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-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
N-(1-carbamothioylcyclohexyl)-3-ethoxypropanamide
CID 55091304
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43350973
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide (CID 61120116) is N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide is NC(=S)C1(NC(=O)CCOc2ccccc2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide?
The InChIKey is HAHJYOAYOISEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(20)15(9-4-5-10-15)17-13(18)8-11-19-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,16,20)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide?
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide has a molecular weight of 292.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide is sourced from PubChem (CID 61120116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).