5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide

C24H34N2O4S — CID 58356264

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)C1
InChIInChI=1S/C24H34N2O4S/c1-17-11-18(2)16-26(15-17)31(28,29)23-4-3-20-12-22(13-21(20)14-23)24(27)25-8-5-19-6-9-30-10-7-19/h3-4,13-14,17-19H,5-12,15-16H2,1-2H3,(H,25,27)
InChIKeyGSJBEKKVLUNDDL-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.23
Rot. Bonds6

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide (PubChem CID 58356264) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
PubChem CID58356264
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)C1
InChIInChI=1S/C24H34N2O4S/c1-17-11-18(2)16-26(15-17)31(28,29)23-4-3-20-12-22(13-21(20)14-23)24(27)25-8-5-19-6-9-30-10-7-19/h3-4,13-14,17-19H,5-12,15-16H2,1-2H3,(H,25,27)
InChIKeyGSJBEKKVLUNDDL-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide (CID 58356264) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The InChIKey is GSJBEKKVLUNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-17-11-18(2)16-26(15-17)31(28,29)23-4-3-20-12-22(13-21(20)14-23)24(27)25-8-5-19-6-9-30-10-7-19/h3-4,13-14,17-19H,5-12,15-16H2,1-2H3,(H,25,27).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide has a molecular weight of 446.61 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide is sourced from PubChem (CID 58356264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).