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

C14H18Cl2N2O2S — CID 3607106

IUPAC2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide
SMILESCC(C)CNC(=S)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2S/c1-8(2)7-17-14(21)18-13(19)9(3)20-12-5-4-10(15)6-11(12)16/h4-6,8-9H,7H2,1-3H3,(H2,17,18,19,21)
InChIKeyUKSKDSUUBSNXSZ-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.41
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide (PubChem CID 3607106) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide
PubChem CID3607106
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide
SMILESCC(C)CNC(=S)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2S/c1-8(2)7-17-14(21)18-13(19)9(3)20-12-5-4-10(15)6-11(12)16/h4-6,8-9H,7H2,1-3H3,(H2,17,18,19,21)
InChIKeyUKSKDSUUBSNXSZ-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide 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-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 4500273
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188450
1-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 40640579
2-(2,4-dichlorophenoxy)-N-[(3,4-dimethylphenyl)carbamothioyl]propanamide
CID 5181953
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2S)-N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 27059827
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 5137130
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)carbamothioyl]propanamide
CID 3988622
(2R)-2-(2,4-dichlorophenoxy)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]propanamide
CID 41121207

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide (CID 3607106) is 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide is CC(C)CNC(=S)NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide?
The InChIKey is UKSKDSUUBSNXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c1-8(2)7-17-14(21)18-13(19)9(3)20-12-5-4-10(15)6-11(12)16/h4-6,8-9H,7H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide has a molecular weight of 349.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)propanamide is sourced from PubChem (CID 3607106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).