5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide

C13H18N2O4S — CID 80973976

IUPAC5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCc1c(NC(=O)C2CCC(C)O2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-8-6-7-11(19-8)13(16)15-10-4-3-5-12(9(10)2)20(14,17)18/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyAZCVNOVMDZBBQP-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.15
Rot. Bonds3

About 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide

5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide (PubChem CID 80973976) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
PubChem CID80973976
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCc1c(NC(=O)C2CCC(C)O2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-8-6-7-11(19-8)13(16)15-10-4-3-5-12(9(10)2)20(14,17)18/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyAZCVNOVMDZBBQP-UHFFFAOYSA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
(2S,5R)-5-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120794541
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
2-(cyclopentylamino)-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 60944911
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
5-[(3-bromo-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102732434
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 60946063
3-methyl-4-[(5-methyloxolane-2-carbonyl)amino]benzenesulfonyl chloride
CID 81330911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide (CID 80973976) is 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide is Cc1c(NC(=O)C2CCC(C)O2)cccc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide?
The InChIKey is AZCVNOVMDZBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-6-7-11(19-8)13(16)15-10-4-3-5-12(9(10)2)20(14,17)18/h3-5,8,11H,6-7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide?
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 80973976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).