1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

C22H24N2O4S — CID 91465779

IUPAC1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)C2=CCCC=C2)CC1
InChIInChI=1S/C22H24N2O4S/c25-22(17-28-20-11-10-18-6-4-5-7-19(18)16-20)23-12-14-24(15-13-23)29(26,27)21-8-2-1-3-9-21/h2,4-11,16H,1,3,12-15,17H2
InChIKeyATVUYAUBGCSYJL-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 91465779) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID91465779
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)C2=CCCC=C2)CC1
InChIInChI=1S/C22H24N2O4S/c25-22(17-28-20-11-10-18-6-4-5-7-19(18)16-20)23-12-14-24(15-13-23)29(26,27)21-8-2-1-3-9-21/h2,4-11,16H,1,3,12-15,17H2
InChIKeyATVUYAUBGCSYJL-UHFFFAOYSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 60592066
2-(3-methylphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 1151528
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-3-ethylphenoxy)ethanone
CID 7642694
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-(2-hydroxyphenoxy)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 4807182
2-methoxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9495933
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (CID 91465779) is 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is ATVUYAUBGCSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c25-22(17-28-20-11-10-18-6-4-5-7-19(18)16-20)23-12-14-24(15-13-23)29(26,27)21-8-2-1-3-9-21/h2,4-11,16H,1,3,12-15,17H2.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 412.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-ylsulfonylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 91465779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).