methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate

C17H24N2O5S — CID 3453924

IUPACmethyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C17H24N2O5S/c1-17(2,3)18-25(22,23)13-5-6-14-12(11-13)9-10-19(14)15(20)7-8-16(21)24-4/h5-6,11,18H,7-10H2,1-4H3
InChIKeyMODBUTQSFJIVTI-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.61
Rot. Bonds5

About methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate

methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate (PubChem CID 3453924) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
PubChem CID3453924
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Namemethyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)NC(C)(C)C)ccc21
InChIInChI=1S/C17H24N2O5S/c1-17(2,3)18-25(22,23)13-5-6-14-12(11-13)9-10-19(14)15(20)7-8-16(21)24-4/h5-6,11,18H,7-10H2,1-4H3
InChIKeyMODBUTQSFJIVTI-UHFFFAOYSA-N
XLogP1.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53005009
methyl 4-[5-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3243580
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75485040
N-tert-butyl-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248086
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025542
3-[[1-(3-carboxypropanoyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoic acid
CID 20864325
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate (CID 3453924) is methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)NC(C)(C)C)ccc21.
What is the InChIKey of methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate?
The InChIKey is MODBUTQSFJIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-17(2,3)18-25(22,23)13-5-6-14-12(11-13)9-10-19(14)15(20)7-8-16(21)24-4/h5-6,11,18H,7-10H2,1-4H3.
What are the key properties of methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate?
methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate has a molecular weight of 368.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate is sourced from PubChem (CID 3453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).