N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide

C26H32N4O4S — CID 46352771

IUPACN-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C26H32N4O4S/c1-17-14-18(2)24(19(3)15-17)35(32,33)30-12-10-29(11-13-30)16-23-20(4)34-26(28-23)22-8-6-21(7-9-22)25(31)27-5/h6-9,14-15H,10-13,16H2,1-5H3,(H,27,31)
InChIKeyCQYWUZJCGQQQPP-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide

N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46352771) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID46352771
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C26H32N4O4S/c1-17-14-18(2)24(19(3)15-17)35(32,33)30-12-10-29(11-13-30)16-23-20(4)34-26(28-23)22-8-6-21(7-9-22)25(31)27-5/h6-9,14-15H,10-13,16H2,1-5H3,(H,27,31)
InChIKeyCQYWUZJCGQQQPP-UHFFFAOYSA-N
XLogP3.44
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 46352774
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768
N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577767
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955645
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 53053550
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053502

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide (CID 46352771) is N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide is CNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c(C)o2)cc1.
What is the InChIKey of N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is CQYWUZJCGQQQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-17-14-18(2)24(19(3)15-17)35(32,33)30-12-10-29(11-13-30)16-23-20(4)34-26(28-23)22-8-6-21(7-9-22)25(31)27-5/h6-9,14-15H,10-13,16H2,1-5H3,(H,27,31).
What are the key properties of N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide?
N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 496.63 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46352771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).