2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide

C15H12Cl3NO2S — CID 35040704

IUPAC2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NO2S/c1-21-9-3-2-4-10(5-9)22-8-15(20)19-14-7-12(17)11(16)6-13(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIAKUZOCLZMGLMK-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.39
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide

2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 35040704) has the molecular formula C15H12Cl3NO2S and a molecular weight of 376.69 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID35040704
Molecular FormulaC15H12Cl3NO2S
Molecular Weight376.69 g/mol
Exact Mass374.97
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1cccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NO2S/c1-21-9-3-2-4-10(5-9)22-8-15(20)19-14-7-12(17)11(16)6-13(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIAKUZOCLZMGLMK-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)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-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041428
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 43298970
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide (CID 35040704) is 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide is COc1cccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is IAKUZOCLZMGLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2S/c1-21-9-3-2-4-10(5-9)22-8-15(20)19-14-7-12(17)11(16)6-13(14)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide?
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 376.69 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 35040704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).