1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine

C20H30N4O3S — CID 90561429

IUPAC1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(CCn2ccnc2C(C)C)CC1
InChIInChI=1S/C20H30N4O3S/c1-4-27-18-7-5-6-8-19(18)28(25,26)24-15-12-22(13-16-24)11-14-23-10-9-21-20(23)17(2)3/h5-10,17H,4,11-16H2,1-3H3
InChIKeyPHWBYGIFNNWBKJ-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.41
Rot. Bonds8

About 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine

1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine (PubChem CID 90561429) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
PubChem CID90561429
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(CCn2ccnc2C(C)C)CC1
InChIInChI=1S/C20H30N4O3S/c1-4-27-18-7-5-6-8-19(18)28(25,26)24-15-12-22(13-16-24)11-14-23-10-9-21-20(23)17(2)3/h5-10,17H,4,11-16H2,1-3H3
InChIKeyPHWBYGIFNNWBKJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561427
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561408
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561436
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440
N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
CID 90561400
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
1-(3-chloro-4-fluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561422
2-[[4-(2-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571649
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
CID 82907885
1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561892
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine (CID 90561429) is 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine is CCOc1ccccc1S(=O)(=O)N1CCN(CCn2ccnc2C(C)C)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The InChIKey is PHWBYGIFNNWBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-4-27-18-7-5-6-8-19(18)28(25,26)24-15-12-22(13-16-24)11-14-23-10-9-21-20(23)17(2)3/h5-10,17H,4,11-16H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine has a molecular weight of 406.55 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90561429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).