2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

C25H18N2O2S — CID 3973055

IUPAC2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C25H18N2O2S/c28-24(15-29-22-12-11-18-6-2-4-8-20(18)14-22)27-25-26-23(16-30-25)21-10-9-17-5-1-3-7-19(17)13-21/h1-14,16H,15H2,(H,26,27,28)
InChIKeyJRUFYABFKNEKBW-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.13
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide

2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 3973055) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID3973055
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC Name2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C25H18N2O2S/c28-24(15-29-22-12-11-18-6-2-4-8-20(18)14-22)27-25-26-23(16-30-25)21-10-9-17-5-1-3-7-19(17)13-21/h1-14,16H,15H2,(H,26,27,28)
InChIKeyJRUFYABFKNEKBW-UHFFFAOYSA-N
XLogP6.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide (CID 3973055) is 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JRUFYABFKNEKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S/c28-24(15-29-22-12-11-18-6-2-4-8-20(18)14-22)27-25-26-23(16-30-25)21-10-9-17-5-1-3-7-19(17)13-21/h1-14,16H,15H2,(H,26,27,28).
What are the key properties of 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide?
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3973055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).