[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

C23H21Cl3N2O2S — CID 19503143

IUPAC[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(COc2ccccc2Cl)cs1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H21Cl3N2O2S/c24-18-6-5-17(20(26)12-18)13-27-7-9-28(10-8-27)23(29)22-11-16(15-31-22)14-30-21-4-2-1-3-19(21)25/h1-6,11-12,15H,7-10,13-14H2
InChIKeyCUHXQBDDSJQOAU-UHFFFAOYSA-N
MW495.86 g/mol
LogP6.25
Rot. Bonds6

About [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19503143) has the molecular formula C23H21Cl3N2O2S and a molecular weight of 495.86 g/mol. Its IUPAC name is [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19503143
Molecular FormulaC23H21Cl3N2O2S
Molecular Weight495.86 g/mol
Exact Mass494.04
IUPAC Name[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(COc2ccccc2Cl)cs1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H21Cl3N2O2S/c24-18-6-5-17(20(26)12-18)13-27-7-9-28(10-8-27)23(29)22-11-16(15-31-22)14-30-21-4-2-1-3-19(21)25/h1-6,11-12,15H,7-10,13-14H2
InChIKeyCUHXQBDDSJQOAU-UHFFFAOYSA-N
XLogP6.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.86
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxy-4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19497107
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19503215
[4-[(4-chloro-3-methylphenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19483385
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19503182
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-fluorophenoxy)methyl]thiophen-2-yl]methanone
CID 19495105
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methanone
CID 19486513
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(2-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19501052
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19498826
(4-benzylpiperazin-1-yl)-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488767
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19503399
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19496991
[4-[(4-chloro-2-methylphenoxy)methyl]thiophen-2-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19486751

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19503143) is [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc(COc2ccccc2Cl)cs1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CUHXQBDDSJQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O2S/c24-18-6-5-17(20(26)12-18)13-27-7-9-28(10-8-27)23(29)22-11-16(15-31-22)14-30-21-4-2-1-3-19(21)25/h1-6,11-12,15H,7-10,13-14H2.
What are the key properties of [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 495.86 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19503143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).