1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide

C24H29N3O5S — CID 46891006

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccccc32)CC1
InChIInChI=1S/C24H29N3O5S/c1-25-11-9-17(10-12-25)26(2)24(28)20-16-27(21-6-4-3-5-19(20)21)33(29,30)18-7-8-22-23(15-18)32-14-13-31-22/h3-8,15,17,20H,9-14,16H2,1-2H3
InChIKeySWMSBVBSLRZXPX-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.30
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide (PubChem CID 46891006) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
PubChem CID46891006
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccccc32)CC1
InChIInChI=1S/C24H29N3O5S/c1-25-11-9-17(10-12-25)26(2)24(28)20-16-27(21-6-4-3-5-19(20)21)33(29,30)18-7-8-22-23(15-18)32-14-13-31-22/h3-8,15,17,20H,9-14,16H2,1-2H3
InChIKeySWMSBVBSLRZXPX-UHFFFAOYSA-N
XLogP2.30
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide (CID 46891006) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The InChIKey is SWMSBVBSLRZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-25-11-9-17(10-12-25)26(2)24(28)20-16-27(21-6-4-3-5-19(20)21)33(29,30)18-7-8-22-23(15-18)32-14-13-31-22/h3-8,15,17,20H,9-14,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).