N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide

C13H18N2O5S — CID 43246848

IUPACN-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-19-10-5-4-9(7-12(10)21(14,17)18)8-15-13(16)11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyONMCVCAALFNCLI-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.14
Rot. Bonds5

About N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide

N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 43246848) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
PubChem CID43246848
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-19-10-5-4-9(7-12(10)21(14,17)18)8-15-13(16)11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyONMCVCAALFNCLI-UHFFFAOYSA-N
XLogP0.14
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
(2S,3S)-2-methyl-N-[(3-methyl-4-sulfamoylphenyl)methyl]oxane-3-carboxamide
CID 129479570
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729718
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302215

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide (CID 43246848) is N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide is COc1ccc(CNC(=O)C2CCCO2)cc1S(N)(=O)=O.
What is the InChIKey of N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is ONMCVCAALFNCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-10-5-4-9(7-12(10)21(14,17)18)8-15-13(16)11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide?
N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 43246848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).