N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide

C18H26N2O2S — CID 19188194

IUPACN-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c1-13(2)15-10-6-7-11-16(15)22-12-17(21)20-18(23)19-14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyRCQYPSLXCUSDDE-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.51
Rot. Bonds5

About N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 19188194) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID19188194
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(=S)NC1CCCCC1
InChIInChI=1S/C18H26N2O2S/c1-13(2)15-10-6-7-11-16(15)22-12-17(21)20-18(23)19-14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyRCQYPSLXCUSDDE-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)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-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188061
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
N-cyclohexyl-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17170482
N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188311
N-(pentylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188192
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 19188194) is N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NC(=S)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is RCQYPSLXCUSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13(2)15-10-6-7-11-16(15)22-12-17(21)20-18(23)19-14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 334.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19188194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).