cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H26N2O4S — CID 110818749

IUPACcyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1C
InChIInChI=1S/C18H26N2O4S/c1-13-12-17(14(2)11-16(13)24-3)25(22,23)20-9-7-19(8-10-20)18(21)15-5-4-6-15/h11-12,15H,4-10H2,1-3H3
InChIKeyMTYVDWYRZMVIHU-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.95
Rot. Bonds4

About cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 110818749) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID110818749
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Namecyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1C
InChIInChI=1S/C18H26N2O4S/c1-13-12-17(14(2)11-16(13)24-3)25(22,23)20-9-7-19(8-10-20)18(21)15-5-4-6-15/h11-12,15H,4-10H2,1-3H3
InChIKeyMTYVDWYRZMVIHU-UHFFFAOYSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328495
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 110818749) is cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1C.
What is the InChIKey of cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MTYVDWYRZMVIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13-12-17(14(2)11-16(13)24-3)25(22,23)20-9-7-19(8-10-20)18(21)15-5-4-6-15/h11-12,15H,4-10H2,1-3H3.
What are the key properties of cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 110818749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).