N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide

C17H19NO5S — CID 31618597

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(COC)c2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-7-8-16(19)15(10-14)18-17(20)13-6-4-5-12(9-13)11-23-2/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyIDOUKJQODXNLNF-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.58
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide (PubChem CID 31618597) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
PubChem CID31618597
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(COC)c2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-7-8-16(19)15(10-14)18-17(20)13-6-4-5-12(9-13)11-23-2/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyIDOUKJQODXNLNF-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-nitrobenzamide
CID 108786368
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide (CID 31618597) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(COC)c2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide?
The InChIKey is IDOUKJQODXNLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-24(21,22)14-7-8-16(19)15(10-14)18-17(20)13-6-4-5-12(9-13)11-23-2/h4-10,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.58, 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)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 31618597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).