(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide

C25H20N2O5S3 — CID 44627283

IUPAC(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(S(=O)(=O)c1ccc3ccccc3c1)CC2)NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H20N2O5S3/c28-23(26-34(29,30)24-9-4-16-33-24)13-11-19-7-3-8-20-14-15-27(25(19)20)35(31,32)22-12-10-18-5-1-2-6-21(18)17-22/h1-13,16-17H,14-15H2,(H,26,28)/b13-11+
InChIKeyZMMBWYWEVQMARK-ACCUITESSA-N
MW524.65 g/mol
LogP4.17
Rot. Bonds6

About (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 44627283) has the molecular formula C25H20N2O5S3 and a molecular weight of 524.65 g/mol. Its IUPAC name is (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID44627283
Molecular FormulaC25H20N2O5S3
Molecular Weight524.65 g/mol
Exact Mass524.05
IUPAC Name(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(S(=O)(=O)c1ccc3ccccc3c1)CC2)NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H20N2O5S3/c28-23(26-34(29,30)24-9-4-16-33-24)13-11-19-7-3-8-20-14-15-27(25(19)20)35(31,32)22-12-10-18-5-1-2-6-21(18)17-22/h1-13,16-17H,14-15H2,(H,26,28)/b13-11+
InChIKeyZMMBWYWEVQMARK-ACCUITESSA-N
XLogP4.17
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide (CID 44627283) is (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1cccc2c1N(S(=O)(=O)c1ccc3ccccc3c1)CC2)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is ZMMBWYWEVQMARK-ACCUITESSA-N. The full InChI is InChI=1S/C25H20N2O5S3/c28-23(26-34(29,30)24-9-4-16-33-24)13-11-19-7-3-8-20-14-15-27(25(19)20)35(31,32)22-12-10-18-5-1-2-6-21(18)17-22/h1-13,16-17H,14-15H2,(H,26,28)/b13-11+.
What are the key properties of (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 524.65 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 44627283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).