2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C24H27N3O4S2 — CID 16593943

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCOc1ccccc1-c1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C24H27N3O4S2/c1-3-31-22-7-5-4-6-21(22)24-25-19(17-32-24)16-23(28)26-12-14-27(15-13-26)33(29,30)20-10-8-18(2)9-11-20/h4-11,17H,3,12-16H2,1-2H3
InChIKeyKGBOXDLREVVZNL-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 16593943) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID16593943
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCOc1ccccc1-c1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C24H27N3O4S2/c1-3-31-22-7-5-4-6-21(22)24-25-19(17-32-24)16-23(28)26-12-14-27(15-13-26)33(29,30)20-10-8-18(2)9-11-20/h4-11,17H,3,12-16H2,1-2H3
InChIKeyKGBOXDLREVVZNL-UHFFFAOYSA-N
XLogP3.59
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16595528
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55386843
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55822311
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 34182855
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 31794170
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 30474573
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 16593943) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is CCOc1ccccc1-c1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is KGBOXDLREVVZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-3-31-22-7-5-4-6-21(22)24-25-19(17-32-24)16-23(28)26-12-14-27(15-13-26)33(29,30)20-10-8-18(2)9-11-20/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 485.63 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 16593943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).