5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide

C22H30N2O4S — CID 58356292

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)CC1
InChIInChI=1S/C22H30N2O4S/c1-16-4-8-24(9-5-16)29(26,27)21-3-2-18-12-20(13-19(18)14-21)22(25)23-15-17-6-10-28-11-7-17/h2-3,13-14,16-17H,4-12,15H2,1H3,(H,23,25)
InChIKeyDPLKPICKZYWKFF-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.59
Rot. Bonds5

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

5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide (PubChem CID 58356292) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
PubChem CID58356292
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)CC1
InChIInChI=1S/C22H30N2O4S/c1-16-4-8-24(9-5-16)29(26,27)21-3-2-18-12-20(13-19(18)14-21)22(25)23-15-17-6-10-28-11-7-17/h2-3,13-14,16-17H,4-12,15H2,1H3,(H,23,25)
InChIKeyDPLKPICKZYWKFF-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide (CID 58356292) is 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCC2CCOCC2)C3)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
The InChIKey is DPLKPICKZYWKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16-4-8-24(9-5-16)29(26,27)21-3-2-18-12-20(13-19(18)14-21)22(25)23-15-17-6-10-28-11-7-17/h2-3,13-14,16-17H,4-12,15H2,1H3,(H,23,25).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide?
5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-N-(oxan-4-ylmethyl)-1H-indene-2-carboxamide is sourced from PubChem (CID 58356292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).