2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

C16H18N2O3S — CID 3684519

IUPAC2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(N)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyLPUCQGVQFAOYOV-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 3684519) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID3684519
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(N)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyLPUCQGVQFAOYOV-UHFFFAOYSA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)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-(2,5-Dimethoxyphenyl)acetamide
CID 77015
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-(2,5-Dimethoxyphenyl)butanamide
CID 306871
Rac1-IN-5
CID 2198266
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
2',5'-Dimethoxypropionanilide
CID 730454
[(2,5-Diethoxy-phenylcarbamoyl)-methylsulfanyl]-acetic acid
CID 652571
2-[(2-anilino-2-oxoethyl)thio]-N-(2-ethoxyphenyl)acetamide
CID 734344

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (CID 3684519) is 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is LPUCQGVQFAOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-12-5-8-15(21-2)14(9-12)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3684519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).