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

C15H15NO4S2 — CID 51099210

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO4S2/c1-22(19,20)14-8-2-11(3-9-14)16-15(18)10-21-13-6-4-12(17)5-7-13/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyVLTDWIADRJTTKT-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.53
Rot. Bonds5

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

2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 51099210) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
PubChem CID51099210
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO4S2/c1-22(19,20)14-8-2-11(3-9-14)16-15(18)10-21-13-6-4-12(17)5-7-13/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyVLTDWIADRJTTKT-UHFFFAOYSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methylsulfonylphenyl)acetamide
CID 42126270
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide (CID 51099210) is 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CSc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is VLTDWIADRJTTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-22(19,20)14-8-2-11(3-9-14)16-15(18)10-21-13-6-4-12(17)5-7-13/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 51099210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).