[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

C26H30N2O5S — CID 2503118

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)c[nH]c12
InChIInChI=1S/C26H30N2O5S/c1-3-18-9-8-14-22-23(16-27-25(18)22)24(29)17-33-26(30)19-10-7-13-21(15-19)34(31,32)28(2)20-11-5-4-6-12-20/h7-10,13-16,20,27H,3-6,11-12,17H2,1-2H3
InChIKeyVARMZMWIGMZSJD-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.72
Rot. Bonds8

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 2503118) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID2503118
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)c[nH]c12
InChIInChI=1S/C26H30N2O5S/c1-3-18-9-8-14-22-23(16-27-25(18)22)24(29)17-33-26(30)19-10-7-13-21(15-19)34(31,32)28(2)20-11-5-4-6-12-20/h7-10,13-16,20,27H,3-6,11-12,17H2,1-2H3
InChIKeyVARMZMWIGMZSJD-UHFFFAOYSA-N
XLogP4.72
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 2503118) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is CCc1cccc2c(C(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is VARMZMWIGMZSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-3-18-9-8-14-22-23(16-27-25(18)22)24(29)17-33-26(30)19-10-7-13-21(15-19)34(31,32)28(2)20-11-5-4-6-12-20/h7-10,13-16,20,27H,3-6,11-12,17H2,1-2H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 482.60 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 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] 3-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 2503118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).