N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide

C21H27N3O4S — CID 53171399

IUPACN-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)C2CCCO2)CC1
InChIInChI=1S/C21H27N3O4S/c1-14-5-7-16(8-6-14)19-15(2)20(23-29(19,26)27)24-11-9-17(10-12-24)22-21(25)18-4-3-13-28-18/h5-8,17-18H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLWGXSBGMLCSNGT-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.23
Rot. Bonds3

About N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide

N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 53171399) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID53171399
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)C2CCCO2)CC1
InChIInChI=1S/C21H27N3O4S/c1-14-5-7-16(8-6-14)19-15(2)20(23-29(19,26)27)24-11-9-17(10-12-24)22-21(25)18-4-3-13-28-18/h5-8,17-18H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLWGXSBGMLCSNGT-UHFFFAOYSA-N
XLogP2.23
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide (CID 53171399) is N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide is CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(NC(=O)C2CCCO2)CC1.
What is the InChIKey of N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is LWGXSBGMLCSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-5-7-16(8-6-14)19-15(2)20(23-29(19,26)27)24-11-9-17(10-12-24)22-21(25)18-4-3-13-28-18/h5-8,17-18H,3-4,9-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide?
N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 53171399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).