2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

C13H19NO2S — CID 47298335

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H19NO2S/c1-4-13(2,3)14-12(16)9-17-11-7-5-10(15)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyDEZZYOSLARPRHP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 47298335) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID47298335
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C13H19NO2S/c1-4-13(2,3)14-12(16)9-17-11-7-5-10(15)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyDEZZYOSLARPRHP-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
N-(2-amino-2-ethylbutyl)-2-(4-hydroxyphenyl)sulfanylacetamide;hydrochloride
CID 119640688
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
2-(4-chlorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 94844150
4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554641
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
CID 91553556
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119522886
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945789
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 47298335) is 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is DEZZYOSLARPRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-13(2,3)14-12(16)9-17-11-7-5-10(15)6-8-11/h5-8,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 47298335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).