(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

C26H18F2N2O4S2 — CID 46885883

IUPAC(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H18F2N2O4S2/c27-26(28)21-8-3-7-19(12-13-22(31)29-36(33,34)23-9-4-14-35-23)24(21)30(25(26)32)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,29,31)/b13-12+
InChIKeyRVZAONNAUMCFCL-OUKQBFOZSA-N
MW524.57 g/mol
LogP5.06
Rot. Bonds6

About (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 46885883) has the molecular formula C26H18F2N2O4S2 and a molecular weight of 524.57 g/mol. Its IUPAC name is (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID46885883
Molecular FormulaC26H18F2N2O4S2
Molecular Weight524.57 g/mol
Exact Mass524.07
IUPAC Name(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H18F2N2O4S2/c27-26(28)21-8-3-7-19(12-13-22(31)29-36(33,34)23-9-4-14-35-23)24(21)30(25(26)32)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,29,31)/b13-12+
InChIKeyRVZAONNAUMCFCL-OUKQBFOZSA-N
XLogP5.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide 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 (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (CID 46885883) is (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is RVZAONNAUMCFCL-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H18F2N2O4S2/c27-26(28)21-8-3-7-19(12-13-22(31)29-36(33,34)23-9-4-14-35-23)24(21)30(25(26)32)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,29,31)/b13-12+.
What are the key properties of (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 524.57 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 46885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).