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

C23H32N2O4S — CID 58356203

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)C1
InChIInChI=1S/C23H32N2O4S/c1-16-9-17(2)15-25(14-16)30(27,28)22-4-3-19-10-21(11-20(19)12-22)23(26)24-13-18-5-7-29-8-6-18/h3-4,11-12,16-18H,5-10,13-15H2,1-2H3,(H,24,26)
InChIKeyWGZRAXFEEQGLBZ-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.84
Rot. Bonds5

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

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide (PubChem CID 58356203) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
PubChem CID58356203
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)C1
InChIInChI=1S/C23H32N2O4S/c1-16-9-17(2)15-25(14-16)30(27,28)22-4-3-19-10-21(11-20(19)12-22)23(26)24-13-18-5-7-29-8-6-18/h3-4,11-12,16-18H,5-10,13-15H2,1-2H3,(H,24,26)
InChIKeyWGZRAXFEEQGLBZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.84
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-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide (CID 58356203) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The InChIKey is WGZRAXFEEQGLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16-9-17(2)15-25(14-16)30(27,28)22-4-3-19-10-21(11-20(19)12-22)23(26)24-13-18-5-7-29-8-6-18/h3-4,11-12,16-18H,5-10,13-15H2,1-2H3,(H,24,26).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.84, 5 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-(oxan-4-ylmethyl)-1H-indene-2-carboxamide is sourced from PubChem (CID 58356203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).