[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate

C18H20N2O5S2 — CID 55450124

IUPAC[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CCc1ccsc1
InChIInChI=1S/C18H20N2O5S2/c1-12-8-14-9-15(27(19,23)24)3-4-16(14)20(12)17(21)10-25-18(22)5-2-13-6-7-26-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,19,23,24)
InChIKeyLSBSEIOERZEINB-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.85
Rot. Bonds6

About [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 55450124) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID55450124
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CCc1ccsc1
InChIInChI=1S/C18H20N2O5S2/c1-12-8-14-9-15(27(19,23)24)3-4-16(14)20(12)17(21)10-25-18(22)5-2-13-6-7-26-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,19,23,24)
InChIKeyLSBSEIOERZEINB-UHFFFAOYSA-N
XLogP1.85
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705022
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425525
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 27349129
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 46644162
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 26971051
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-3-ylethanone
CID 43550096
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267
1-[2-[bis(2-methoxyethyl)amino]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 43035984
[2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 51567928
2-methyl-1-[2-(2-methyl-N-propan-2-ylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 86893523
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55448927
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 46645679

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 55450124) is [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate is CC1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)CCc1ccsc1.
What is the InChIKey of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is LSBSEIOERZEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-12-8-14-9-15(27(19,23)24)3-4-16(14)20(12)17(21)10-25-18(22)5-2-13-6-7-26-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3,(H2,19,23,24).
What are the key properties of [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 408.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 55450124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).