N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide

C11H16N2O4S — CID 120703363

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CNC)c1
InChIInChI=1S/C11H16N2O4S/c1-3-18(16,17)8-4-5-10(14)9(6-8)13-11(15)7-12-2/h4-6,12,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyABAZSCGQZVFMHO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.34
Rot. Bonds5

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide (PubChem CID 120703363) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
PubChem CID120703363
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CNC)c1
InChIInChI=1S/C11H16N2O4S/c1-3-18(16,17)8-4-5-10(14)9(6-8)13-11(15)7-12-2/h4-6,12,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyABAZSCGQZVFMHO-UHFFFAOYSA-N
XLogP0.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 681601
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 19517975
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
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4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
CID 31618396
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522376
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 98385098
N'-(3,5-dichloro-2-hydroxyphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)oxamide
CID 11750845

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide (CID 120703363) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)CNC)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide?
The InChIKey is ABAZSCGQZVFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-18(16,17)8-4-5-10(14)9(6-8)13-11(15)7-12-2/h4-6,12,14H,3,7H2,1-2H3,(H,13,15).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide has a molecular weight of 272.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 120703363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).