(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide

C22H18N2O3S2 — CID 44626788

IUPAC(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccn(Cc3ccccc3)c12)NS(=O)(=O)c1cccs1
InChIInChI=1S/C22H18N2O3S2/c25-20(23-29(26,27)21-10-5-15-28-21)12-11-18-8-4-9-19-13-14-24(22(18)19)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,23,25)/b12-11+
InChIKeyTVIXEGZNIIFRJF-VAWYXSNFSA-N
MW422.53 g/mol
LogP4.27
Rot. Bonds6

About (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 44626788) has the molecular formula C22H18N2O3S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID44626788
Molecular FormulaC22H18N2O3S2
Molecular Weight422.53 g/mol
Exact Mass422.08
IUPAC Name(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccn(Cc3ccccc3)c12)NS(=O)(=O)c1cccs1
InChIInChI=1S/C22H18N2O3S2/c25-20(23-29(26,27)21-10-5-15-28-21)12-11-18-8-4-9-19-13-14-24(22(18)19)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,23,25)/b12-11+
InChIKeyTVIXEGZNIIFRJF-VAWYXSNFSA-N
XLogP4.27
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzylindol-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-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide (CID 44626788) is (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1cccc2ccn(Cc3ccccc3)c12)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is TVIXEGZNIIFRJF-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H18N2O3S2/c25-20(23-29(26,27)21-10-5-15-28-21)12-11-18-8-4-9-19-13-14-24(22(18)19)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,23,25)/b12-11+.
What are the key properties of (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 422.53 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 44626788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).