1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

C24H27ClN2O4S2 — CID 46092556

IUPAC1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1cccc(C(CN2CCN(S(=O)(=O)c3cccs3)CC2)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C24H27ClN2O4S2/c1-30-22-8-3-6-20(16-22)23(31-18-19-5-2-7-21(25)15-19)17-26-10-12-27(13-11-26)33(28,29)24-9-4-14-32-24/h2-9,14-16,23H,10-13,17-18H2,1H3
InChIKeyXASFAMZNVIIWHE-UHFFFAOYSA-N
MW507.08 g/mol
LogP4.67
Rot. Bonds9

About 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine

1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 46092556) has the molecular formula C24H27ClN2O4S2 and a molecular weight of 507.08 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID46092556
Molecular FormulaC24H27ClN2O4S2
Molecular Weight507.08 g/mol
Exact Mass506.11
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1cccc(C(CN2CCN(S(=O)(=O)c3cccs3)CC2)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C24H27ClN2O4S2/c1-30-22-8-3-6-20(16-22)23(31-18-19-5-2-7-21(25)15-19)17-26-10-12-27(13-11-26)33(28,29)24-9-4-14-32-24/h2-9,14-16,23H,10-13,17-18H2,1H3
InChIKeyXASFAMZNVIIWHE-UHFFFAOYSA-N
XLogP4.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.08
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 98403135
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 46098993
methyl 3-[4-[(2R)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 98403244
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-[4-(difluoromethoxy)phenyl]sulfonylpiperazine
CID 46099201
1-[(2S)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-[4-(difluoromethoxy)phenyl]sulfonylpiperazine
CID 98408283
1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 46098950
methyl 4-[[(1S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3-methoxyphenyl)ethoxy]methyl]benzoate
CID 98402843
1-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-4-(3-methoxyphenyl)sulfonylpiperazine
CID 46099192
[4-[(2S)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 92768528
1-[4-[(2R)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 92769696
[4-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 46090387
4-[(2S)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93017263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine (CID 46092556) is 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is COc1cccc(C(CN2CCN(S(=O)(=O)c3cccs3)CC2)OCc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is XASFAMZNVIIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S2/c1-30-22-8-3-6-20(16-22)23(31-18-19-5-2-7-21(25)15-19)17-26-10-12-27(13-11-26)33(28,29)24-9-4-14-32-24/h2-9,14-16,23H,10-13,17-18H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 507.08 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 46092556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).