2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid

C27H25NO5S — CID 154584178

IUPAC2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C27H25NO5S/c1-17-15-18(2)26(19(3)16-17)34(31,32)28-23-13-14-24(22-12-8-7-11-21(22)23)33-25(27(29)30)20-9-5-4-6-10-20/h4-16,25,28H,1-3H3,(H,29,30)
InChIKeyMRGKXUWPQRQPQL-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.77
Rot. Bonds7

About 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid

2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid (PubChem CID 154584178) has the molecular formula C27H25NO5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid
PubChem CID154584178
Molecular FormulaC27H25NO5S
Molecular Weight475.57 g/mol
Exact Mass475.15
IUPAC Name2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C27H25NO5S/c1-17-15-18(2)26(19(3)16-17)34(31,32)28-23-13-14-24(22-12-8-7-11-21(22)23)33-25(27(29)30)20-9-5-4-6-10-20/h4-16,25,28H,1-3H3,(H,29,30)
InChIKeyMRGKXUWPQRQPQL-UHFFFAOYSA-N
XLogP5.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic 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-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid (CID 154584178) is 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid is Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is MRGKXUWPQRQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5S/c1-17-15-18(2)26(19(3)16-17)34(31,32)28-23-13-14-24(22-12-8-7-11-21(22)23)33-25(27(29)30)20-9-5-4-6-10-20/h4-16,25,28H,1-3H3,(H,29,30).
What are the key properties of 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid?
2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 475.57 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 154584178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).