2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide

C16H17NO2S — CID 23932880

IUPAC2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2S)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-7-8-14(12(2)9-11)19-10-16(18)17-13-5-3-4-6-15(13)20/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyILQUGPAPIBMNGA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.61
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide (PubChem CID 23932880) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
PubChem CID23932880
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2S)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-7-8-14(12(2)9-11)19-10-16(18)17-13-5-3-4-6-15(13)20/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyILQUGPAPIBMNGA-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761183
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide (CID 23932880) is 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccccc2S)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide?
The InChIKey is ILQUGPAPIBMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-7-8-14(12(2)9-11)19-10-16(18)17-13-5-3-4-6-15(13)20/h3-9,20H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide is sourced from PubChem (CID 23932880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).