N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide

C13H18N2O4S — CID 65155493

IUPACN-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-7-10(4-5-12(9)20(14,17)18)15-13(16)8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMODPGYHODMQMKD-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.15
Rot. Bonds4

About N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide

N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 65155493) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
PubChem CID65155493
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-9-7-10(4-5-12(9)20(14,17)18)15-13(16)8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyMODPGYHODMQMKD-UHFFFAOYSA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-(oxolan-2-yl)acetamide
CID 65159312
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide (CID 65155493) is N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide is Cc1cc(NC(=O)CC2CCCO2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is MODPGYHODMQMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-7-10(4-5-12(9)20(14,17)18)15-13(16)8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65155493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).