3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid

C14H18N2O6S — CID 166179457

IUPAC3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H18N2O6S/c1-10(17)16(2)11-3-5-12(6-4-11)23(20,21)15-14(13(18)19)7-8-22-9-14/h3-6,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyMISAPGRCIFWGRN-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.19
Rot. Bonds5

About 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid

3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 166179457) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
PubChem CID166179457
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
SMILESCC(=O)N(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1
InChIInChI=1S/C14H18N2O6S/c1-10(17)16(2)11-3-5-12(6-4-11)23(20,21)15-14(13(18)19)7-8-22-9-14/h3-6,15H,7-9H2,1-2H3,(H,18,19)
InChIKeyMISAPGRCIFWGRN-UHFFFAOYSA-N
XLogP0.19
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid (CID 166179457) is 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid is CC(=O)N(C)c1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)cc1.
What is the InChIKey of 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is MISAPGRCIFWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-10(17)16(2)11-3-5-12(6-4-11)23(20,21)15-14(13(18)19)7-8-22-9-14/h3-6,15H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid?
3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 166179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).