[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

C22H17ClF2N2O2S — CID 46413228

IUPAC[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C22H17ClF2N2O2S/c23-16-4-1-14(2-5-16)19-7-8-20(30-19)22(29)27-11-9-26(10-12-27)21(28)15-3-6-17(24)18(25)13-15/h1-8,13H,9-12H2
InChIKeyWEIUVZHFWASFMD-UHFFFAOYSA-N
MW446.91 g/mol
LogP4.94
Rot. Bonds3

About [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone

[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 46413228) has the molecular formula C22H17ClF2N2O2S and a molecular weight of 446.91 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID46413228
Molecular FormulaC22H17ClF2N2O2S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC Name[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C22H17ClF2N2O2S/c23-16-4-1-14(2-5-16)19-7-8-20(30-19)22(29)27-11-9-26(10-12-27)21(28)15-3-6-17(24)18(25)13-15/h1-8,13H,9-12H2
InChIKeyWEIUVZHFWASFMD-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)thiophen-2-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 46651235
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
2-[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 17412087
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646358
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
[5-(4-chlorophenyl)thiophen-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656164
[4-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413180
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705338
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33004158
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 46413228) is [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is WEIUVZHFWASFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O2S/c23-16-4-1-14(2-5-16)19-7-8-20(30-19)22(29)27-11-9-26(10-12-27)21(28)15-3-6-17(24)18(25)13-15/h1-8,13H,9-12H2.
What are the key properties of [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 446.91 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 46413228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).