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

C16H17NO3S — CID 60864053

IUPACN-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-20-14-7-3-12(4-8-14)17-16(19)11-21-15-9-5-13(18)6-10-15/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyOPAFQPUOKOUCQI-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.52
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 60864053) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID60864053
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C16H17NO3S/c1-2-20-14-7-3-12(4-8-14)17-16(19)11-21-15-9-5-13(18)6-10-15/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyOPAFQPUOKOUCQI-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 42489168
2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
2-[4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 99130141
2-(4-ethoxyphenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 30991886
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 60864053) is N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is OPAFQPUOKOUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-20-14-7-3-12(4-8-14)17-16(19)11-21-15-9-5-13(18)6-10-15/h3-10,18H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 303.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 60864053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).