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

C26H16Cl2N2O5S2 — CID 46885654

IUPAC(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C26H16Cl2N2O5S2/c27-20-13-22(36-25(20)28)37(34,35)29-21(31)11-10-17-6-3-7-19-23(17)30(26(33)24(19)32)14-15-8-9-16-4-1-2-5-18(16)12-15/h1-13H,14H2,(H,29,31)/b11-10+
InChIKeyHZZCRINGTHCFSR-ZHACJKMWSA-N
MW571.46 g/mol
LogP5.46
Rot. Bonds6

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

(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide (PubChem CID 46885654) has the molecular formula C26H16Cl2N2O5S2 and a molecular weight of 571.46 g/mol. Its IUPAC name is (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide
PubChem CID46885654
Molecular FormulaC26H16Cl2N2O5S2
Molecular Weight571.46 g/mol
Exact Mass569.99
IUPAC Name(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C26H16Cl2N2O5S2/c27-20-13-22(36-25(20)28)37(34,35)29-21(31)11-10-17-6-3-7-19-23(17)30(26(33)24(19)32)14-15-8-9-16-4-1-2-5-18(16)12-15/h1-13H,14H2,(H,29,31)/b11-10+
InChIKeyHZZCRINGTHCFSR-ZHACJKMWSA-N
XLogP5.46
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-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)-2,3-dioxoindol-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide (CID 46885654) is (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)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)-2,3-dioxoindol-7-yl]prop-2-enamide?
The InChIKey is HZZCRINGTHCFSR-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H16Cl2N2O5S2/c27-20-13-22(36-25(20)28)37(34,35)29-21(31)11-10-17-6-3-7-19-23(17)30(26(33)24(19)32)14-15-8-9-16-4-1-2-5-18(16)12-15/h1-13H,14H2,(H,29,31)/b11-10+.
What are the key properties of (E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide?
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]prop-2-enamide has a molecular weight of 571.46 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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)-2,3-dioxoindol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).