2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid

C25H27NO6S — CID 58159078

IUPAC2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid
SMILESCOC[C@H]1OC(c2cccc3ccccc23)C[C@@H]1C(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C25H27NO6S/c1-16-10-12-18(13-11-16)33(29,30)26-24(25(27)28)21-14-22(32-23(21)15-31-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,21-24,26H,14-15H2,1-2H3,(H,27,28)/t21-,22?,23+,24?/m0/s1
InChIKeyAVSSMKKCOHTTCM-RFQWIFLJSA-N
MW469.56 g/mol
LogP3.67
Rot. Bonds8

About 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid

2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid (PubChem CID 58159078) has the molecular formula C25H27NO6S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid
PubChem CID58159078
Molecular FormulaC25H27NO6S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC Name2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid
SMILESCOC[C@H]1OC(c2cccc3ccccc23)C[C@@H]1C(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C25H27NO6S/c1-16-10-12-18(13-11-16)33(29,30)26-24(25(27)28)21-14-22(32-23(21)15-31-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,21-24,26H,14-15H2,1-2H3,(H,27,28)/t21-,22?,23+,24?/m0/s1
InChIKeyAVSSMKKCOHTTCM-RFQWIFLJSA-N
XLogP3.67
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid (CID 58159078) is 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid is COC[C@H]1OC(c2cccc3ccccc23)C[C@@H]1C(NS(=O)(=O)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is AVSSMKKCOHTTCM-RFQWIFLJSA-N. The full InChI is InChI=1S/C25H27NO6S/c1-16-10-12-18(13-11-16)33(29,30)26-24(25(27)28)21-14-22(32-23(21)15-31-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,21-24,26H,14-15H2,1-2H3,(H,27,28)/t21-,22?,23+,24?/m0/s1.
What are the key properties of 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid?
2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 469.56 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-2-(methoxymethyl)-5-naphthalen-1-yloxolan-3-yl]-2-[(4-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 58159078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).