N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H20N2O5S — CID 115949404

IUPACN-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(NC(=O)COC(C)(C)C)ccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)20-8-12(16)15-9-5-6-11(21(14,17)18)10(7-9)19-4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyJDBGDWGWFIELCH-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.10
Rot. Bonds5

About N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949404) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949404
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCOc1cc(NC(=O)COC(C)(C)C)ccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)20-8-12(16)15-9-5-6-11(21(14,17)18)10(7-9)19-4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyJDBGDWGWFIELCH-UHFFFAOYSA-N
XLogP1.10
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
2-(2-tert-butylphenoxy)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 26782054
N-(4-hydroxy-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602921
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949404) is N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is COc1cc(NC(=O)COC(C)(C)C)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JDBGDWGWFIELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,3)20-8-12(16)15-9-5-6-11(21(14,17)18)10(7-9)19-4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 316.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).