ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate

C24H27N3O6S — CID 46361191

IUPACethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C24H27N3O6S/c1-2-33-24(30)18-4-3-5-19(14-18)26-22(28)10-12-25-34(31,32)20-8-9-21-17(15-20)11-13-27(21)23(29)16-6-7-16/h3-5,8-9,14-16,25H,2,6-7,10-13H2,1H3,(H,26,28)
InChIKeyKAUCZSHAPZUHAZ-UHFFFAOYSA-N
MW485.56 g/mol
LogP2.47
Rot. Bonds9

About ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate

ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate (PubChem CID 46361191) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
PubChem CID46361191
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Nameethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C24H27N3O6S/c1-2-33-24(30)18-4-3-5-19(14-18)26-22(28)10-12-25-34(31,32)20-8-9-21-17(15-20)11-13-27(21)23(29)16-6-7-16/h3-5,8-9,14-16,25H,2,6-7,10-13H2,1H3,(H,26,28)
InChIKeyKAUCZSHAPZUHAZ-UHFFFAOYSA-N
XLogP2.47
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate with MolForge

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Related Compounds

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 46361256
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate?
The IUPAC name of ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate (CID 46361191) is ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate?
The canonical SMILES for ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1.
What is the InChIKey of ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate?
The InChIKey is KAUCZSHAPZUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-2-33-24(30)18-4-3-5-19(14-18)26-22(28)10-12-25-34(31,32)20-8-9-21-17(15-20)11-13-27(21)23(29)16-6-7-16/h3-5,8-9,14-16,25H,2,6-7,10-13H2,1H3,(H,26,28).
What are the key properties of ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate?
ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate has a molecular weight of 485.56 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate is sourced from PubChem (CID 46361191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).