N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide

C12H17N3O5S — CID 108508740

IUPACN'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-2-15(7-8-16)12(18)11(17)14-9-3-5-10(6-4-9)21(13,19)20/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H2,13,19,20)
InChIKeyRRGKQPXGLKLZIS-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.89
Rot. Bonds5

About N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide

N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508740) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508740
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-2-15(7-8-16)12(18)11(17)14-9-3-5-10(6-4-9)21(13,19)20/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H2,13,19,20)
InChIKeyRRGKQPXGLKLZIS-UHFFFAOYSA-N
XLogP-0.89
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
N,N-diethylethanamine;(4-sulfamoylphenyl)carbamodithioic acid
CID 5359215
N',N'-diethyl-N-phenyloxamide
CID 14925038
N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525152
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45372361
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide (CID 108508740) is N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide is CCN(CCO)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is RRGKQPXGLKLZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-2-15(7-8-16)12(18)11(17)14-9-3-5-10(6-4-9)21(13,19)20/h3-6,16H,2,7-8H2,1H3,(H,14,17)(H2,13,19,20).
What are the key properties of N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide?
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 315.35 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).