3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide

C24H29N3O5S — CID 46361256

IUPAC3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-32-20-8-6-19(7-9-20)26(2)23(28)12-14-25-33(30,31)21-10-11-22-18(16-21)13-15-27(22)24(29)17-4-5-17/h6-11,16-17,25H,3-5,12-15H2,1-2H3
InChIKeyVKLYMUPJAQXMLR-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.72
Rot. Bonds9

About 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide (PubChem CID 46361256) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
PubChem CID46361256
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
InChIInChI=1S/C24H29N3O5S/c1-3-32-20-8-6-19(7-9-20)26(2)23(28)12-14-25-33(30,31)21-10-11-22-18(16-21)13-15-27(22)24(29)17-4-5-17/h6-11,16-17,25H,3-5,12-15H2,1-2H3
InChIKeyVKLYMUPJAQXMLR-UHFFFAOYSA-N
XLogP2.72
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide with MolForge

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803
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
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
CID 46361191
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
CID 46253995
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide (CID 46361256) is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide is CCOc1ccc(N(C)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide?
The InChIKey is VKLYMUPJAQXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-3-32-20-8-6-19(7-9-20)26(2)23(28)12-14-25-33(30,31)21-10-11-22-18(16-21)13-15-27(22)24(29)17-4-5-17/h6-11,16-17,25H,3-5,12-15H2,1-2H3.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide?
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide has a molecular weight of 471.58 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 46361256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).