2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide

C20H22ClN3O3S — CID 1293053

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O3S/c1-14-12-15(21)6-7-18(14)27-13-19(25)23-20(28)22-16-4-2-3-5-17(16)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,22,23,25,28)
InChIKeyFRKHTHCTXWGKLC-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide (PubChem CID 1293053) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide
PubChem CID1293053
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O3S/c1-14-12-15(21)6-7-18(14)27-13-19(25)23-20(28)22-16-4-2-3-5-17(16)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,22,23,25,28)
InChIKeyFRKHTHCTXWGKLC-UHFFFAOYSA-N
XLogP3.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide (CID 1293053) is 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide?
The InChIKey is FRKHTHCTXWGKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-14-12-15(21)6-7-18(14)27-13-19(25)23-20(28)22-16-4-2-3-5-17(16)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,22,23,25,28).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide has a molecular weight of 419.93 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 1293053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).