(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide

C14H18N2O5S — CID 739175

IUPAC(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCC[C@H]1C[C@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O
InChIInChI=1S/C14H18N2O5S/c1-3-9-8-14(2,21-12(9)17)13(18)16-10-4-6-11(7-5-10)22(15,19)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,15,19,20)/t9-,14+/m0/s1
InChIKeyOQILGWUEUGZHJG-LKFCYVNXSA-N
MW326.37 g/mol
LogP1.00
Rot. Bonds4

About (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide

(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide (PubChem CID 739175) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide
PubChem CID739175
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide
SMILESCC[C@H]1C[C@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O
InChIInChI=1S/C14H18N2O5S/c1-3-9-8-14(2,21-12(9)17)13(18)16-10-4-6-11(7-5-10)22(15,19)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,15,19,20)/t9-,14+/m0/s1
InChIKeyOQILGWUEUGZHJG-LKFCYVNXSA-N
XLogP1.00
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide (CID 739175) is (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide is CC[C@H]1C[C@](C)(C(=O)Nc2ccc(S(N)(=O)=O)cc2)OC1=O.
What is the InChIKey of (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide?
The InChIKey is OQILGWUEUGZHJG-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-3-9-8-14(2,21-12(9)17)13(18)16-10-4-6-11(7-5-10)22(15,19)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,15,19,20)/t9-,14+/m0/s1.
What are the key properties of (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide?
(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 739175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).