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

C14H14N2O2S — CID 3482565

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-3-1-2-4-13(12)19-9-14(18)16-10-5-7-11(17)8-6-10/h1-8,17H,9,15H2,(H,16,18)
InChIKeyPVEISAZBPZLJRL-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.71
Rot. Bonds4

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

2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide (PubChem CID 3482565) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
PubChem CID3482565
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-3-1-2-4-13(12)19-9-14(18)16-10-5-7-11(17)8-6-10/h1-8,17H,9,15H2,(H,16,18)
InChIKeyPVEISAZBPZLJRL-UHFFFAOYSA-N
XLogP2.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
2-(2-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide
CID 859487
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide (CID 3482565) is 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide is Nc1ccccc1SCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide?
The InChIKey is PVEISAZBPZLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-12-3-1-2-4-13(12)19-9-14(18)16-10-5-7-11(17)8-6-10/h1-8,17H,9,15H2,(H,16,18).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3482565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).