2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide

C25H34N2O2S — CID 143898340

IUPAC2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide
SMILESCc1cc(C)c(S(=O)NC(CCc2ccccc2)C(=O)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C25H34N2O2S/c1-18-12-14-27(15-13-18)25(28)23(11-10-22-8-6-5-7-9-22)26-30(29)24-20(3)16-19(2)17-21(24)4/h5-9,16-18,23,26H,10-15H2,1-4H3
InChIKeyRNEATAYMNMGFTH-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.48
Rot. Bonds7

About 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide

2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide (PubChem CID 143898340) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide
PubChem CID143898340
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Name2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide
SMILESCc1cc(C)c(S(=O)NC(CCc2ccccc2)C(=O)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C25H34N2O2S/c1-18-12-14-27(15-13-18)25(28)23(11-10-22-8-6-5-7-9-22)26-30(29)24-20(3)16-19(2)17-21(24)4/h5-9,16-18,23,26H,10-15H2,1-4H3
InChIKeyRNEATAYMNMGFTH-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide (CID 143898340) is 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide is Cc1cc(C)c(S(=O)NC(CCc2ccccc2)C(=O)N2CCC(C)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide?
The InChIKey is RNEATAYMNMGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-18-12-14-27(15-13-18)25(28)23(11-10-22-8-6-5-7-9-22)26-30(29)24-20(3)16-19(2)17-21(24)4/h5-9,16-18,23,26H,10-15H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide?
2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide has a molecular weight of 426.63 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]benzenesulfinamide is sourced from PubChem (CID 143898340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).