(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide

C26H18Cl2N2O4S2 — CID 46885387

IUPAC(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C26H18Cl2N2O4S2/c27-21-14-24(35-26(21)28)36(33,34)29-22(31)11-10-18-6-3-7-20-13-23(32)30(25(18)20)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-12,14H,13,15H2,(H,29,31)/b11-10+
InChIKeyZEODIQUZJWXXLX-ZHACJKMWSA-N
MW557.48 g/mol
LogP5.82
Rot. Bonds6

About (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide

(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide (PubChem CID 46885387) has the molecular formula C26H18Cl2N2O4S2 and a molecular weight of 557.48 g/mol. Its IUPAC name is (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide
PubChem CID46885387
Molecular FormulaC26H18Cl2N2O4S2
Molecular Weight557.48 g/mol
Exact Mass556.01
IUPAC Name(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C26H18Cl2N2O4S2/c27-21-14-24(35-26(21)28)36(33,34)29-22(31)11-10-18-6-3-7-20-13-23(32)30(25(18)20)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-12,14H,13,15H2,(H,29,31)/b11-10+
InChIKeyZEODIQUZJWXXLX-ZHACJKMWSA-N
XLogP5.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-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)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide (CID 46885387) is (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)NS(=O)(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide?
The InChIKey is ZEODIQUZJWXXLX-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H18Cl2N2O4S2/c27-21-14-24(35-26(21)28)36(33,34)29-22(31)11-10-18-6-3-7-20-13-23(32)30(25(18)20)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-12,14H,13,15H2,(H,29,31)/b11-10+.
What are the key properties of (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide?
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide has a molecular weight of 557.48 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2-oxo-3H-indol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).