2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C14H20N2O4S — CID 9495897

IUPAC2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)16-9-7-15(8-10-16)14(17)11-20-2/h3-6H,7-11H2,1-2H3
InChIKeyRGJDJLACQYGIEQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.47
Rot. Bonds4

About 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 9495897) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID9495897
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)16-9-7-15(8-10-16)14(17)11-20-2/h3-6H,7-11H2,1-2H3
InChIKeyRGJDJLACQYGIEQ-UHFFFAOYSA-N
XLogP0.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570041
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
2-(2,6-dichlorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 17494249

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 9495897) is 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is COCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is RGJDJLACQYGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-12-3-5-13(6-4-12)21(18,19)16-9-7-15(8-10-16)14(17)11-20-2/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 312.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 9495897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).