2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide

C17H15Cl3N2O3S — CID 17355950

IUPAC2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O3S/c1-24-6-7-25-15-5-3-2-4-10(15)16(23)22-17(26)21-14-9-12(19)11(18)8-13(14)20/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23,26)
InChIKeyIKAKOSODPUHNML-UHFFFAOYSA-N
MW433.74 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide

2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (PubChem CID 17355950) has the molecular formula C17H15Cl3N2O3S and a molecular weight of 433.74 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
PubChem CID17355950
Molecular FormulaC17H15Cl3N2O3S
Molecular Weight433.74 g/mol
Exact Mass431.99
IUPAC Name2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O3S/c1-24-6-7-25-15-5-3-2-4-10(15)16(23)22-17(26)21-14-9-12(19)11(18)8-13(14)20/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23,26)
InChIKeyIKAKOSODPUHNML-UHFFFAOYSA-N
XLogP4.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.74
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide 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-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
N-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
2-bromo-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2278796
2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 4943480
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122972
2-butoxy-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 54787028
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355898
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942754
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide (CID 17355950) is 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is COCCOc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
The InChIKey is IKAKOSODPUHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3S/c1-24-6-7-25-15-5-3-2-4-10(15)16(23)22-17(26)21-14-9-12(19)11(18)8-13(14)20/h2-5,8-9H,6-7H2,1H3,(H2,21,22,23,26).
What are the key properties of 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide?
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide has a molecular weight of 433.74 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17355950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).