(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

C26H18N2O5S2 — CID 46885653

IUPAC(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H18N2O5S2/c29-22(27-35(32,33)23-9-4-14-34-23)13-12-19-7-3-8-21-24(19)28(26(31)25(21)30)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,27,29)/b13-12+
InChIKeyQIJXURVARCDFAT-OUKQBFOZSA-N
MW502.57 g/mol
LogP4.15
Rot. Bonds6

About (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide

(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (PubChem CID 46885653) has the molecular formula C26H18N2O5S2 and a molecular weight of 502.57 g/mol. Its IUPAC name is (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
PubChem CID46885653
Molecular FormulaC26H18N2O5S2
Molecular Weight502.57 g/mol
Exact Mass502.07
IUPAC Name(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C26H18N2O5S2/c29-22(27-35(32,33)23-9-4-14-34-23)13-12-19-7-3-8-21-24(19)28(26(31)25(21)30)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,27,29)/b13-12+
InChIKeyQIJXURVARCDFAT-OUKQBFOZSA-N
XLogP4.15
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.15
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'}

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Related Compounds

3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885689
(E)-3-(1-naphthalen-2-ylsulfonyl-2,3-dihydroindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
CID 44627283
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885387
3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885431
3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885652
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl)acrylamide
CID 46885654
N-(4-fluorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl)acrylamide
CID 46885655
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885686
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885882
3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885883
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide
CID 127033172
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]thiophene-2-sulfonamide
CID 16030925

Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The IUPAC name of (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide (CID 46885653) is (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The canonical SMILES for (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)NS(=O)(=O)c1cccs1.
What is the InChIKey of (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
The InChIKey is QIJXURVARCDFAT-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H18N2O5S2/c29-22(27-35(32,33)23-9-4-14-34-23)13-12-19-7-3-8-21-24(19)28(26(31)25(21)30)16-17-10-11-18-5-1-2-6-20(18)15-17/h1-15H,16H2,(H,27,29)/b13-12+.
What are the key properties of (E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide?
(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide has a molecular weight of 502.57 g/mol, XLogP of 4.15, 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-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide is sourced from PubChem (CID 46885653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).