2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide

C19H24N2O2S — CID 145260622

IUPAC2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C19H24N2O2S/c1-14-8-9-17(15(2)12-14)24-18-7-5-4-6-16(18)21-13-19(22)20-10-11-23-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyJFYNYHSTVJTEPN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.63
Rot. Bonds8

About 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide

2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide (PubChem CID 145260622) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
PubChem CID145260622
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccccc1Sc1ccc(C)cc1C
InChIInChI=1S/C19H24N2O2S/c1-14-8-9-17(15(2)12-14)24-18-7-5-4-6-16(18)21-13-19(22)20-10-11-23-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyJFYNYHSTVJTEPN-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide
CID 126602009
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
N-[2-(2,4-dimethylphenyl)sulfanylphenyl]-2-(2-hydroxyethylamino)acetamide;ethane
CID 145260626
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
tert-butyl N-[2-[2-(2,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-N-(2-hydroxyethyl)carbamate
CID 126602025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide (CID 145260622) is 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccccc1Sc1ccc(C)cc1C.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JFYNYHSTVJTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-8-9-17(15(2)12-14)24-18-7-5-4-6-16(18)21-13-19(22)20-10-11-23-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide?
2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)sulfanylanilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 145260622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).