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

C16H24N2O2S — CID 19188311

IUPACN-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCCCNC(=S)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)11-20-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21)
InChIKeyKDZFINXAJPOBRQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.98
Rot. Bonds7

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

N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 19188311) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID19188311
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCCCNC(=S)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)11-20-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21)
InChIKeyKDZFINXAJPOBRQ-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(butylcarbamothioyl)-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-(pentylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188192
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750
methyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate
CID 19188236
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]hexanamide
CID 4954149
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188289

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 19188311) is N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide is CCCCNC(=S)NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is KDZFINXAJPOBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)11-20-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19188311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).