N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide

C11H16N2O6S2 — CID 61381356

IUPACN-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O6S2/c1-3-19-9-5-4-8(6-10(9)21(12,17)18)13-11(14)7-20(2,15)16/h4-6H,3,7H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyQGCPUVYCSUGPFN-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.28
Rot. Bonds6

About N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide

N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide (PubChem CID 61381356) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
PubChem CID61381356
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC NameN-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide
SMILESCCOc1ccc(NC(=O)CS(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O6S2/c1-3-19-9-5-4-8(6-10(9)21(12,17)18)13-11(14)7-20(2,15)16/h4-6H,3,7H2,1-2H3,(H,13,14)(H2,12,17,18)
InChIKeyQGCPUVYCSUGPFN-UHFFFAOYSA-N
XLogP-0.28
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-sulfamoylphenyl)propanamide
CID 43134014
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
N-[4-[3-(ethoxymethoxy)propoxymethoxy]-3-sulfamoylphenyl]-2,2-dimethylbutanamide
CID 20793594
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide (CID 61381356) is N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide is CCOc1ccc(NC(=O)CS(C)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide?
The InChIKey is QGCPUVYCSUGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-3-19-9-5-4-8(6-10(9)21(12,17)18)13-11(14)7-20(2,15)16/h4-6H,3,7H2,1-2H3,(H,13,14)(H2,12,17,18).
What are the key properties of N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide?
N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide has a molecular weight of 336.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-sulfamoylphenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61381356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).