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

C23H32N2O4S — CID 58356236

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)CC1
InChIInChI=1S/C23H32N2O4S/c1-17-5-10-25(11-6-17)30(27,28)22-3-2-19-14-21(15-20(19)16-22)23(26)24-9-4-18-7-12-29-13-8-18/h2-3,15-18H,4-14H2,1H3,(H,24,26)
InChIKeyVJKACENTMFPLIV-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.98
Rot. Bonds6

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

5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide (PubChem CID 58356236) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
PubChem CID58356236
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)CC1
InChIInChI=1S/C23H32N2O4S/c1-17-5-10-25(11-6-17)30(27,28)22-3-2-19-14-21(15-20(19)16-22)23(26)24-9-4-18-7-12-29-13-8-18/h2-3,15-18H,4-14H2,1H3,(H,24,26)
InChIKeyVJKACENTMFPLIV-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.98
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-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide (CID 58356236) is 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)C=C(C(=O)NCCC2CCOCC2)C3)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
The InChIKey is VJKACENTMFPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-17-5-10-25(11-6-17)30(27,28)22-3-2-19-14-21(15-20(19)16-22)23(26)24-9-4-18-7-12-29-13-8-18/h2-3,15-18H,4-14H2,1H3,(H,24,26).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide?
5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 2.98, 6 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-[2-(oxan-4-yl)ethyl]-1H-indene-2-carboxamide is sourced from PubChem (CID 58356236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).