2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide

C18H22N2OS — CID 23964047

IUPAC2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ccccc1N
InChIInChI=1S/C18H22N2OS/c1-3-13-8-7-9-14(4-2)18(13)20-17(21)12-22-16-11-6-5-10-15(16)19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyMDNFMILNYKURRY-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.12
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide (PubChem CID 23964047) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
PubChem CID23964047
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1ccccc1N
InChIInChI=1S/C18H22N2OS/c1-3-13-8-7-9-14(4-2)18(13)20-17(21)12-22-16-11-6-5-10-15(16)19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyMDNFMILNYKURRY-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.12
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-ethylphenyl)acetamide
CID 1134166
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43248918
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 42114351
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 82182301
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide (CID 23964047) is 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The InChIKey is MDNFMILNYKURRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-13-8-7-9-14(4-2)18(13)20-17(21)12-22-16-11-6-5-10-15(16)19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 4.12, 6 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-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 23964047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).