ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate

C26H26N2O5S — CID 133158900

IUPACethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CC(C)N3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O5S/c1-3-33-25(29)16-19-9-12-22(13-10-19)27-26(30)20-11-14-24-21(17-20)15-18(2)28(24)34(31,32)23-7-5-4-6-8-23/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,30)
InChIKeyRNRASJSKGZFUIR-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.18
Rot. Bonds7

About ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate

ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate (PubChem CID 133158900) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
PubChem CID133158900
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Nameethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CC(C)N3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O5S/c1-3-33-25(29)16-19-9-12-22(13-10-19)27-26(30)20-11-14-24-21(17-20)15-18(2)28(24)34(31,32)23-7-5-4-6-8-23/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,30)
InChIKeyRNRASJSKGZFUIR-UHFFFAOYSA-N
XLogP4.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate with MolForge

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Related Compounds

(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100766861
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
ethyl 4-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 41452649
(2S)-1-(benzenesulfonyl)-N-(4-bromo-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100801400
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
(2R)-1-(benzenesulfonyl)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801421
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100766947
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670788
1-(benzenesulfonyl)-2-methyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 133197640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate (CID 133158900) is ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CC(C)N3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate?
The InChIKey is RNRASJSKGZFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-3-33-25(29)16-19-9-12-22(13-10-19)27-26(30)20-11-14-24-21(17-20)15-18(2)28(24)34(31,32)23-7-5-4-6-8-23/h4-14,17-18H,3,15-16H2,1-2H3,(H,27,30).
What are the key properties of ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate?
ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate has a molecular weight of 478.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 133158900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).