N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide

C15H19ClN2O2S — CID 61118939

IUPACN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
SMILESNC(=S)C1(NC(=O)COc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2O2S/c16-11-4-6-12(7-5-11)20-10-13(19)18-15(14(17)21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,21)(H,18,19)
InChIKeyAHRJHFPOMXVBGL-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.82
Rot. Bonds5

About N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide

N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 61118939) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
PubChem CID61118939
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
SMILESNC(=S)C1(NC(=O)COc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H19ClN2O2S/c16-11-4-6-12(7-5-11)20-10-13(19)18-15(14(17)21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,21)(H,18,19)
InChIKeyAHRJHFPOMXVBGL-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide 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
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenyl)acetamide
CID 61120142
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide
CID 64688246
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide (CID 61118939) is N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide is NC(=S)C1(NC(=O)COc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is AHRJHFPOMXVBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-11-4-6-12(7-5-11)20-10-13(19)18-15(14(17)21)8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,17,21)(H,18,19).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide?
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 326.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 61118939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).