methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate

C24H22N2O6S — CID 24993218

IUPACmethyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C24H22N2O6S/c1-31-19-10-12-20(13-11-19)33(29,30)26-15-14-16-4-3-5-21(22(16)26)25-23(27)17-6-8-18(9-7-17)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyCTFBOTSGQBBVTG-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.49
Rot. Bonds6

About methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate

methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate (PubChem CID 24993218) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate
PubChem CID24993218
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Namemethyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C24H22N2O6S/c1-31-19-10-12-20(13-11-19)33(29,30)26-15-14-16-4-3-5-21(22(16)26)25-23(27)17-6-8-18(9-7-17)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyCTFBOTSGQBBVTG-UHFFFAOYSA-N
XLogP3.49
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate with MolForge

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Related Compounds

4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]thiophene-2-carboxamide
CID 24993536
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993537
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-4-methyl-benzamide
CID 21310780
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzamide
CID 24993215
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-dimethylamino-N-hydroxy-benzamide
CID 44316334

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate (CID 24993218) is methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate?
The InChIKey is CTFBOTSGQBBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-31-19-10-12-20(13-11-19)33(29,30)26-15-14-16-4-3-5-21(22(16)26)25-23(27)17-6-8-18(9-7-17)24(28)32-2/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate?
methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate has a molecular weight of 466.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]carbamoyl]benzoate is sourced from PubChem (CID 24993218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).