N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

C20H27N3O6S — CID 24532242

IUPACN-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1OC
InChIInChI=1S/C20H27N3O6S/c1-12-9-17(27-4)18(28-5)10-16(12)21-20(24)15-7-6-8-23(11-15)30(25,26)19-13(2)22-29-14(19)3/h9-10,15H,6-8,11H2,1-5H3,(H,21,24)
InChIKeyLXGFAIYUYUDRBU-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.66
Rot. Bonds6

About N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 24532242) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID24532242
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1OC
InChIInChI=1S/C20H27N3O6S/c1-12-9-17(27-4)18(28-5)10-16(12)21-20(24)15-7-6-8-23(11-15)30(25,26)19-13(2)22-29-14(19)3/h9-10,15H,6-8,11H2,1-5H3,(H,21,24)
InChIKeyLXGFAIYUYUDRBU-UHFFFAOYSA-N
XLogP2.66
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
CID 55624392
N-(2-methoxyphenyl)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 50760329
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 94243922
(3R)-N-(2-methoxy-5-methylphenyl)-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92887115
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55726933
(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94243936
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55726022
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 24532242) is N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is COc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is LXGFAIYUYUDRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-12-9-17(27-4)18(28-5)10-16(12)21-20(24)15-7-6-8-23(11-15)30(25,26)19-13(2)22-29-14(19)3/h9-10,15H,6-8,11H2,1-5H3,(H,21,24).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 24532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).