[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C18H22N2O5S — CID 4320410

IUPAC[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O5S/c1-2-20(14-7-8-26(23,24)12-14)17(21)11-25-18(22)9-13-10-19-16-6-4-3-5-15(13)16/h3-6,10,14,19H,2,7-9,11-12H2,1H3
InChIKeyLXMARXRIOFJTGY-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.29
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4320410) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4320410
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H22N2O5S/c1-2-20(14-7-8-26(23,24)12-14)17(21)11-25-18(22)9-13-10-19-16-6-4-3-5-15(13)16/h3-6,10,14,19H,2,7-9,11-12H2,1H3
InChIKeyLXMARXRIOFJTGY-UHFFFAOYSA-N
XLogP1.29
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 4320410) is [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is LXMARXRIOFJTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-20(14-7-8-26(23,24)12-14)17(21)11-25-18(22)9-13-10-19-16-6-4-3-5-15(13)16/h3-6,10,14,19H,2,7-9,11-12H2,1H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 378.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4320410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).