3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide

C15H20N2O5S — CID 664559

IUPAC3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C15H20N2O5S/c1-15(2)9-10(14(19)22-15)3-8-13(18)17-11-4-6-12(7-5-11)23(16,20)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyHQTDQPTUQLOSRW-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.39
Rot. Bonds5

About 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide

3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 664559) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID664559
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1
InChIInChI=1S/C15H20N2O5S/c1-15(2)9-10(14(19)22-15)3-8-13(18)17-11-4-6-12(7-5-11)23(16,20)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,16,20,21)
InChIKeyHQTDQPTUQLOSRW-UHFFFAOYSA-N
XLogP1.39
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide (CID 664559) is 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide is CC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1.
What is the InChIKey of 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is HQTDQPTUQLOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(2)9-10(14(19)22-15)3-8-13(18)17-11-4-6-12(7-5-11)23(16,20)21/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)(H2,16,20,21).
What are the key properties of 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide?
3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 664559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).