1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

C23H26N2O5S — CID 70802342

IUPAC1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(S(=O)(=O)C3C=c4ccccc4=CC3)CC2)cc1
InChIInChI=1S/C23H26N2O5S/c1-29-20-7-9-21(10-8-20)30-17-23(26)24-12-14-25(15-13-24)31(27,28)22-11-6-18-4-2-3-5-19(18)16-22/h2-10,16,22H,11-15,17H2,1H3
InChIKeyKUYNGVFMJYOFBP-UHFFFAOYSA-N
MW442.54 g/mol
LogP0.58
Rot. Bonds6

About 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 70802342) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID70802342
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(S(=O)(=O)C3C=c4ccccc4=CC3)CC2)cc1
InChIInChI=1S/C23H26N2O5S/c1-29-20-7-9-21(10-8-20)30-17-23(26)24-12-14-25(15-13-24)31(27,28)22-11-6-18-4-2-3-5-19(18)16-22/h2-10,16,22H,11-15,17H2,1H3
InChIKeyKUYNGVFMJYOFBP-UHFFFAOYSA-N
XLogP0.58
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone with MolForge

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
1-(4-cyclohexa-2,4-dien-1-ylsulfonylpiperazin-1-yl)-2-phenoxyethanone
CID 70802300
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 70802342) is 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCN(S(=O)(=O)C3C=c4ccccc4=CC3)CC2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is KUYNGVFMJYOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-29-20-7-9-21(10-8-20)30-17-23(26)24-12-14-25(15-13-24)31(27,28)22-11-6-18-4-2-3-5-19(18)16-22/h2-10,16,22H,11-15,17H2,1H3.
What are the key properties of 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 442.54 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 70802342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).