[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate

C24H26N2O6S — CID 16535116

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C24H26N2O6S/c1-4-13-25(14-5-2)23(27)17-32-24(28)20-16-19(10-11-22(20)31-3)33(29,30)26-15-12-18-8-6-7-9-21(18)26/h4-11,16H,1-2,12-15,17H2,3H3
InChIKeySTJHELXFZCOGIG-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.80
Rot. Bonds10

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate (PubChem CID 16535116) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
PubChem CID16535116
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC
InChIInChI=1S/C24H26N2O6S/c1-4-13-25(14-5-2)23(27)17-32-24(28)20-16-19(10-11-22(20)31-3)33(29,30)26-15-12-18-8-6-7-9-21(18)26/h4-11,16H,1-2,12-15,17H2,3H3
InChIKeySTJHELXFZCOGIG-UHFFFAOYSA-N
XLogP2.80
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2632427
[2-(4-iodoanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 5106302
(4-oxo-4-phenylbutyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 42965543
(5-methyl-1,2-oxazol-3-yl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 28583082
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2403689
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 3942504
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037
ethyl 2-[[2-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3656964
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate (CID 16535116) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate is C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate?
The InChIKey is STJHELXFZCOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-4-13-25(14-5-2)23(27)17-32-24(28)20-16-19(10-11-22(20)31-3)33(29,30)26-15-12-18-8-6-7-9-21(18)26/h4-11,16H,1-2,12-15,17H2,3H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate has a molecular weight of 470.55 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate is sourced from PubChem (CID 16535116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).