2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide

C15H16N2O2S — CID 3846730

IUPAC2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-13-6-4-12(5-7-13)17-15(18)10-20-14-8-2-11(16)3-9-14/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWVIWBKXEBGLNAS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 3846730) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID3846730
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-13-6-4-12(5-7-13)17-15(18)10-20-14-8-2-11(16)3-9-14/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWVIWBKXEBGLNAS-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
butyl 4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoate
CID 99955524
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 3846730) is 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is WVIWBKXEBGLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-13-6-4-12(5-7-13)17-15(18)10-20-14-8-2-11(16)3-9-14/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).