ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate

C22H26N4O5S — CID 24761359

IUPACethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate
SMILESCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-2-31-22(28)26-20(13-16-14-25-19-6-4-3-5-18(16)19)21(27)24-12-11-15-7-9-17(10-8-15)32(23,29)30/h3-10,14,20,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)(H2,23,29,30)
InChIKeyUFLQELUEEALMDI-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.83
Rot. Bonds9

About ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate

ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate (PubChem CID 24761359) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate
PubChem CID24761359
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Nameethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate
SMILESCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H26N4O5S/c1-2-31-22(28)26-20(13-16-14-25-19-6-4-3-5-18(16)19)21(27)24-12-11-15-7-9-17(10-8-15)32(23,29)30/h3-10,14,20,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)(H2,23,29,30)
InChIKeyUFLQELUEEALMDI-UHFFFAOYSA-N
XLogP1.83
TPSA143.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate (CID 24761359) is ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate is CCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate?
The InChIKey is UFLQELUEEALMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-2-31-22(28)26-20(13-16-14-25-19-6-4-3-5-18(16)19)21(27)24-12-11-15-7-9-17(10-8-15)32(23,29)30/h3-10,14,20,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)(H2,23,29,30).
What are the key properties of ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate?
ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate has a molecular weight of 458.54 g/mol, XLogP of 1.83, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 24761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).