N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide

C17H19NO5S — CID 31618408

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(11-14)18-17(20)10-12-4-6-13(23-2)7-5-12/h4-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyMGWVXTDXFTXTFI-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.38
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 31618408) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID31618408
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(11-14)18-17(20)10-12-4-6-13(23-2)7-5-12/h4-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyMGWVXTDXFTXTFI-UHFFFAOYSA-N
XLogP2.38
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide (CID 31618408) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(OC)cc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is MGWVXTDXFTXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(11-14)18-17(20)10-12-4-6-13(23-2)7-5-12/h4-9,11,19H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 31618408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).