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

C23H23NO5S — CID 66932597

IUPAC2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C(=O)O)[C@@H]2CO[C@@H](c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H23NO5S/c1-15-6-10-20(11-7-15)30(27,28)24-22(23(25)26)19-13-21(29-14-19)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,19,21-22,24H,13-14H2,1H3,(H,25,26)/t19-,21+,22?/m0/s1
InChIKeyANXJDUVQVLPKQD-BMHUVXDISA-N
MW425.51 g/mol
LogP3.66
Rot. Bonds6

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

2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid (PubChem CID 66932597) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid
PubChem CID66932597
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC(C(=O)O)[C@@H]2CO[C@@H](c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C23H23NO5S/c1-15-6-10-20(11-7-15)30(27,28)24-22(23(25)26)19-13-21(29-14-19)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,19,21-22,24H,13-14H2,1H3,(H,25,26)/t19-,21+,22?/m0/s1
InChIKeyANXJDUVQVLPKQD-BMHUVXDISA-N
XLogP3.66
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]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-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid (CID 66932597) is 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid is Cc1ccc(S(=O)(=O)NC(C(=O)O)[C@@H]2CO[C@@H](c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid?
The InChIKey is ANXJDUVQVLPKQD-BMHUVXDISA-N. The full InChI is InChI=1S/C23H23NO5S/c1-15-6-10-20(11-7-15)30(27,28)24-22(23(25)26)19-13-21(29-14-19)18-9-8-16-4-2-3-5-17(16)12-18/h2-12,19,21-22,24H,13-14H2,1H3,(H,25,26)/t19-,21+,22?/m0/s1.
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid?
2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid has a molecular weight of 425.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-2-[(3R,5R)-5-naphthalen-2-yloxolan-3-yl]acetic acid is sourced from PubChem (CID 66932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).