(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

C26H20N2O4S2 — CID 46885431

IUPAC(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H20N2O4S2/c29-23(27-34(31,32)25-9-4-14-33-25)13-12-20-7-3-8-22-16-24(30)28(26(20)22)17-18-10-11-19-5-1-2-6-21(19)15-18/h1-15H,16-17H2,(H,27,29)/b13-12+
InChIKeyWELKDCSOSYGBRH-OUKQBFOZSA-N
MW488.59 g/mol
LogP4.51
Rot. Bonds6

About (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 46885431) has the molecular formula C26H20N2O4S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID46885431
Molecular FormulaC26H20N2O4S2
Molecular Weight488.59 g/mol
Exact Mass488.09
IUPAC Name(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H20N2O4S2/c29-23(27-34(31,32)25-9-4-14-33-25)13-12-20-7-3-8-22-16-24(30)28(26(20)22)17-18-10-11-19-5-1-2-6-21(19)15-18/h1-15H,16-17H2,(H,27,29)/b13-12+
InChIKeyWELKDCSOSYGBRH-OUKQBFOZSA-N
XLogP4.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (CID 46885431) is (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is WELKDCSOSYGBRH-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H20N2O4S2/c29-23(27-34(31,32)25-9-4-14-33-25)13-12-20-7-3-8-22-16-24(30)28(26(20)22)17-18-10-11-19-5-1-2-6-21(19)15-18/h1-15H,16-17H2,(H,27,29)/b13-12+.
What are the key properties of (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 488.59 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 46885431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).