2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone

C20H27N3O3S — CID 52666775

IUPAC2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C20H27N3O3S/c1-14-8-9-15(2)18(12-14)22-11-10-21-20(22)27(25,26)13-19(24)23-16(3)6-5-7-17(23)4/h8-12,16-17H,5-7,13H2,1-4H3/t16-,17-/m0/s1
InChIKeyZCPBLRNGDIUBAS-IRXDYDNUSA-N
MW389.52 g/mol
LogP3.05
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 52666775) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID52666775
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C20H27N3O3S/c1-14-8-9-15(2)18(12-14)22-11-10-21-20(22)27(25,26)13-19(24)23-16(3)6-5-7-17(23)4/h8-12,16-17H,5-7,13H2,1-4H3/t16-,17-/m0/s1
InChIKeyZCPBLRNGDIUBAS-IRXDYDNUSA-N
XLogP3.05
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 52666775) is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone is Cc1ccc(C)c(-n2ccnc2S(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is ZCPBLRNGDIUBAS-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-8-9-15(2)18(12-14)22-11-10-21-20(22)27(25,26)13-19(24)23-16(3)6-5-7-17(23)4/h8-12,16-17H,5-7,13H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 389.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonyl-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 52666775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).