2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C17H24N2O5S — CID 97430729

IUPAC2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESC/C=C\c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C17H24N2O5S/c1-4-5-14-6-7-15(16(12-14)23-2)24-13-17(20)18-8-10-19(11-9-18)25(3,21)22/h4-7,12H,8-11,13H2,1-3H3/b5-4-
InChIKeyJSGSECNSWNLRRI-PLNGDYQASA-N
MW368.46 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 97430729) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID97430729
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESC/C=C\c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C17H24N2O5S/c1-4-5-14-6-7-15(16(12-14)23-2)24-13-17(20)18-8-10-19(11-9-18)25(3,21)22/h4-7,12H,8-11,13H2,1-3H3/b5-4-
InChIKeyJSGSECNSWNLRRI-PLNGDYQASA-N
XLogP1.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26054588
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 2471343
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 86975363
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 18270392
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119325
2-(2-methoxy-4-prop-1-enylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 126785977
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26532467
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26959594
4-[[4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 17463724
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119490153

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 97430729) is 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is C/C=C\c1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is JSGSECNSWNLRRI-PLNGDYQASA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-5-14-6-7-15(16(12-14)23-2)24-13-17(20)18-8-10-19(11-9-18)25(3,21)22/h4-7,12H,8-11,13H2,1-3H3/b5-4-.
What are the key properties of 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 368.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 97430729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).