ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate

C20H19N3O5S — CID 11732410

IUPACethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O5S/c1-2-28-20(25)22-11-10-15-12-16(8-9-18(15)22)29(26,27)23-13-17(21-19(23)24)14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)
InChIKeyUFAZYXFSHJTXPA-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.60
Rot. Bonds4

About ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate

ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate (PubChem CID 11732410) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
PubChem CID11732410
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Nameethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21
InChIInChI=1S/C20H19N3O5S/c1-2-28-20(25)22-11-10-15-12-16(8-9-18(15)22)29(26,27)23-13-17(21-19(23)24)14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24)
InChIKeyUFAZYXFSHJTXPA-UHFFFAOYSA-N
XLogP2.60
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 21224933
5-phenyl-3-[[1-[2-(propan-2-ylamino)acetyl]-2,3-dihydroindol-5-yl]sulfonyl]-1H-imidazol-2-one;hydrochloride
CID 21224889
3-[[2-methyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 142627111
3-[[1-(4-aminobenzoyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-5-phenyl-1H-imidazol-2-one
CID 21224945
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 53376888
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
(2-phenylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526977
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate (CID 11732410) is ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CCc2cc(S(=O)(=O)n3cc(-c4ccccc4)[nH]c3=O)ccc21.
What is the InChIKey of ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is UFAZYXFSHJTXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-2-28-20(25)22-11-10-15-12-16(8-9-18(15)22)29(26,27)23-13-17(21-19(23)24)14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,21,24).
What are the key properties of ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate?
ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 413.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-oxo-5-phenyl-1H-imidazol-3-yl)sulfonyl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 11732410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).