[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate

C23H24N2O5S — CID 18273477

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
SMILESCCc1cccc2c(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C23H24N2O5S/c1-3-18-5-4-6-19-20(13-24-23(18)19)21(26)15-30-22(27)14-25-31(28,29)12-11-17-9-7-16(2)8-10-17/h4-13,24-25H,3,14-15H2,1-2H3/b12-11+
InChIKeyGWLYFERLMWLSKM-VAWYXSNFSA-N
MW440.52 g/mol
LogP3.35
Rot. Bonds9

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate (PubChem CID 18273477) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
PubChem CID18273477
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
SMILESCCc1cccc2c(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C23H24N2O5S/c1-3-18-5-4-6-19-20(13-24-23(18)19)21(26)15-30-22(27)14-25-31(28,29)12-11-17-9-7-16(2)8-10-17/h4-13,24-25H,3,14-15H2,1-2H3/b12-11+
InChIKeyGWLYFERLMWLSKM-VAWYXSNFSA-N
XLogP3.35
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate with MolForge

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Related Compounds

phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
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2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
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(2-fluorophenyl)methyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
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[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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[2-(2-acetylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18281560
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2439471
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate (CID 18273477) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate is CCc1cccc2c(C(=O)COC(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The InChIKey is GWLYFERLMWLSKM-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-3-18-5-4-6-19-20(13-24-23(18)19)21(26)15-30-22(27)14-25-31(28,29)12-11-17-9-7-16(2)8-10-17/h4-13,24-25H,3,14-15H2,1-2H3/b12-11+.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate has a molecular weight of 440.52 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate is sourced from PubChem (CID 18273477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).