N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C16H17NO2S — CID 47262869

IUPACN-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-2-12-3-5-13(6-4-12)17-16(19)11-20-15-9-7-14(18)8-10-15/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyCEKYFVGDOMONNK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.69
Rot. Bonds5

About N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 47262869) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID47262869
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-2-12-3-5-13(6-4-12)17-16(19)11-20-15-9-7-14(18)8-10-15/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyCEKYFVGDOMONNK-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 7976705
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
N-(4-ethylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2661362

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 47262869) is N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is CEKYFVGDOMONNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-12-3-5-13(6-4-12)17-16(19)11-20-15-9-7-14(18)8-10-15/h3-10,18H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 47262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).