[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

C26H24N2O5S — CID 24615642

IUPAC[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCN(c1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C26H24N2O5S/c1-27-21-15-9-7-13-19(21)24(25(27)18-11-5-4-6-12-18)23(29)17-33-26(30)20-14-8-10-16-22(20)28(2)34(3,31)32/h4-16H,17H2,1-3H3
InChIKeyGIGVPTARFAPZQA-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.28
Rot. Bonds7

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (PubChem CID 24615642) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.

Molecular Properties

Compound Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
PubChem CID24615642
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCN(c1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C26H24N2O5S/c1-27-21-15-9-7-13-19(21)24(25(27)18-11-5-4-6-12-18)23(29)17-33-26(30)20-14-8-10-16-22(20)28(2)34(3,31)32/h4-16H,17H2,1-3H3
InChIKeyGIGVPTARFAPZQA-UHFFFAOYSA-N
XLogP4.28
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (CID 24615642) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.
What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is CN(c1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)S(C)(=O)=O.
What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The InChIKey is GIGVPTARFAPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-27-21-15-9-7-13-19(21)24(25(27)18-11-5-4-6-12-18)23(29)17-33-26(30)20-14-8-10-16-22(20)28(2)34(3,31)32/h4-16H,17H2,1-3H3.
What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate has a molecular weight of 476.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is sourced from PubChem (CID 24615642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).