[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate

C15H20N2O6S — CID 8808144

IUPAC[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-10(11-4-6-12(7-5-11)24(16,20)21)17-14(18)9-23-15(19)13-3-2-8-22-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)(H2,16,20,21)/t10-,13+/m1/s1
InChIKeyKSHJXIGYBUBYAB-MFKMUULPSA-N
MW356.40 g/mol
LogP0.23
Rot. Bonds6

About [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate

[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate (PubChem CID 8808144) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate
PubChem CID8808144
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H20N2O6S/c1-10(11-4-6-12(7-5-11)24(16,20)21)17-14(18)9-23-15(19)13-3-2-8-22-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)(H2,16,20,21)/t10-,13+/m1/s1
InChIKeyKSHJXIGYBUBYAB-MFKMUULPSA-N
XLogP0.23
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate with MolForge

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Related Compounds

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
CID 8808173
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
2-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethoxy]acetic acid
CID 60708265
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methoxybenzoate
CID 9019237
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 3-methylthiophene-2-carboxylate
CID 9008710
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 97088481
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 7986584

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate (CID 8808144) is [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate is C[C@@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate?
The InChIKey is KSHJXIGYBUBYAB-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10(11-4-6-12(7-5-11)24(16,20)21)17-14(18)9-23-15(19)13-3-2-8-22-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)(H2,16,20,21)/t10-,13+/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate?
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate is sourced from PubChem (CID 8808144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).