2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide

C16H18N2OS — CID 1134166

IUPAC2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C16H18N2OS/c1-2-12-7-3-5-9-14(12)18-16(19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyPJYSBMBGOCEMDF-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide (PubChem CID 1134166) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
PubChem CID1134166
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C16H18N2OS/c1-2-12-7-3-5-9-14(12)18-16(19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyPJYSBMBGOCEMDF-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30390177
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide (CID 1134166) is 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide?
The InChIKey is PJYSBMBGOCEMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-12-7-3-5-9-14(12)18-16(19)11-20-15-10-6-4-8-13(15)17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 1134166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).