N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C23H32N2O2S — CID 3365328

IUPACN-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C23H32N2O2S/c1-13(2)19-5-4-14(3)6-20(19)27-12-21(26)24-23(28)25-22-17-8-15-7-16(10-17)11-18(22)9-15/h4-6,13,15-18,22H,7-12H2,1-3H3,(H2,24,25,26,28)
InChIKeyGEAKHFFMAQBYBP-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.31
Rot. Bonds5

About N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 3365328) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID3365328
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C23H32N2O2S/c1-13(2)19-5-4-14(3)6-20(19)27-12-21(26)24-23(28)25-22-17-8-15-7-16(10-17)11-18(22)9-15/h4-6,13,15-18,22H,7-12H2,1-3H3,(H2,24,25,26,28)
InChIKeyGEAKHFFMAQBYBP-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-adamantylcarbamothioyl)-2-(5-methyl-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

1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-(2-adamantylcarbamothioyl)-2-(2-chlorophenoxy)acetamide
CID 3365330
N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 1370294
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055
N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5179070
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-ethoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4927101
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 3365328) is N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is GEAKHFFMAQBYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-13(2)19-5-4-14(3)6-20(19)27-12-21(26)24-23(28)25-22-17-8-15-7-16(10-17)11-18(22)9-15/h4-6,13,15-18,22H,7-12H2,1-3H3,(H2,24,25,26,28).
What are the key properties of N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 400.59 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylcarbamothioyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3365328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).