4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide

C15H20Cl2N2O2S — CID 19188450

IUPAC4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
SMILESCC(C)CNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2S/c1-10(2)9-18-15(22)19-14(20)4-3-7-21-13-6-5-11(16)8-12(13)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,19,20,22)
InChIKeyFRSKCJHKIYCUNG-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.80
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide (PubChem CID 19188450) has the molecular formula C15H20Cl2N2O2S and a molecular weight of 363.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
PubChem CID19188450
Molecular FormulaC15H20Cl2N2O2S
Molecular Weight363.31 g/mol
Exact Mass362.06
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
SMILESCC(C)CNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2S/c1-10(2)9-18-15(22)19-14(20)4-3-7-21-13-6-5-11(16)8-12(13)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,19,20,22)
InChIKeyFRSKCJHKIYCUNG-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.80
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 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide 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-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
CID 17143014
N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-methylbutanamide
CID 4923094
4-(2,4-dichlorophenoxy)-N-(heptylcarbamothioyl)butanamide
CID 3253432
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
4-(2,4-dichlorophenoxy)-N-[(2,6-dichlorophenyl)carbamothioyl]butanamide
CID 54785867
4-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]butanamide
CID 3247611
2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide
CID 3607106
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]butanamide
CID 54777247
4-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)carbamothioyl]butanamide
CID 3250470
4-(2,4-dichlorophenoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]butanamide
CID 17340529
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(4-methylphenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188516

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide (CID 19188450) is 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide is CC(C)CNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide?
The InChIKey is FRSKCJHKIYCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2S/c1-10(2)9-18-15(22)19-14(20)4-3-7-21-13-6-5-11(16)8-12(13)17/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide has a molecular weight of 363.31 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide is sourced from PubChem (CID 19188450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).