2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

C22H24N2O3S — CID 161286122

IUPAC2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESO=C(CS(=O)(=O)N1CCc2ccccc21)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C22H24N2O3S/c25-21(14-28(26,27)24-12-11-15-5-1-2-10-20(15)24)23-22-18-8-3-6-16(18)13-17-7-4-9-19(17)22/h1-2,5,10,13H,3-4,6-9,11-12,14H2,(H,23,25)
InChIKeyVFSXSAJICCDKEI-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.99
Rot. Bonds4

About 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide

2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (PubChem CID 161286122) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
PubChem CID161286122
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
SMILESO=C(CS(=O)(=O)N1CCc2ccccc21)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C22H24N2O3S/c25-21(14-28(26,27)24-12-11-15-5-1-2-10-20(15)24)23-22-18-8-3-6-16(18)13-17-7-4-9-19(17)22/h1-2,5,10,13H,3-4,6-9,11-12,14H2,(H,23,25)
InChIKeyVFSXSAJICCDKEI-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide (CID 161286122) is 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is O=C(CS(=O)(=O)N1CCc2ccccc21)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
The InChIKey is VFSXSAJICCDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-21(14-28(26,27)24-12-11-15-5-1-2-10-20(15)24)23-22-18-8-3-6-16(18)13-17-7-4-9-19(17)22/h1-2,5,10,13H,3-4,6-9,11-12,14H2,(H,23,25).
What are the key properties of 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide?
2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide has a molecular weight of 396.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-ylsulfonyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide is sourced from PubChem (CID 161286122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).