[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C26H24N2O5S — CID 4842179

IUPAC[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C26H24N2O5S/c1-18-12-14-20(15-13-18)34(31,32)27-16-24(30)33-17-23(29)25-21-10-6-7-11-22(21)28(2)26(25)19-8-4-3-5-9-19/h3-15,27H,16-17H2,1-2H3
InChIKeyRTWGOKRRYITCHU-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.86
Rot. Bonds8

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 4842179) 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-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID4842179
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C26H24N2O5S/c1-18-12-14-20(15-13-18)34(31,32)27-16-24(30)33-17-23(29)25-21-10-6-7-11-22(21)28(2)26(25)19-8-4-3-5-9-19/h3-15,27H,16-17H2,1-2H3
InChIKeyRTWGOKRRYITCHU-UHFFFAOYSA-N
XLogP3.86
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate
CID 7175406
trans-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 40533854
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596226
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615642
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317040
2-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethoxy]benzamide
CID 7679661
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 18226360
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2472197
(2-oxo-2-phenothiazin-10-ylethyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2373283
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1-(1-methyl-2-phenylindol-3-yl)-2-(2-nitrophenoxy)ethanone
CID 18228397
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55316963

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 4842179) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1.
What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is RTWGOKRRYITCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-18-12-14-20(15-13-18)34(31,32)27-16-24(30)33-17-23(29)25-21-10-6-7-11-22(21)28(2)26(25)19-8-4-3-5-9-19/h3-15,27H,16-17H2,1-2H3.
What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 476.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 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-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 4842179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).