[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone

C23H20ClFN2O2S — CID 37200999

IUPAC[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C23H20ClFN2O2S/c24-21-10-9-18(30-21)15-26-11-13-27(14-12-26)23(29)20-4-2-1-3-19(20)22(28)16-5-7-17(25)8-6-16/h1-10H,11-15H2
InChIKeyKANXPDDHQNKFRJ-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.73
Rot. Bonds5

About [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone

[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 37200999) has the molecular formula C23H20ClFN2O2S and a molecular weight of 442.94 g/mol. Its IUPAC name is [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID37200999
Molecular FormulaC23H20ClFN2O2S
Molecular Weight442.94 g/mol
Exact Mass442.09
IUPAC Name[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C23H20ClFN2O2S/c24-21-10-9-18(30-21)15-26-11-13-27(14-12-26)23(29)20-4-2-1-3-19(20)22(28)16-5-7-17(25)8-6-16/h1-10H,11-15H2
InChIKeyKANXPDDHQNKFRJ-UHFFFAOYSA-N
XLogP4.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 27841515
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 27841746
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 55395560
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
(4-fluorophenyl)-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 47022126
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-iodophenyl)methanone
CID 27841614
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone (CID 37200999) is [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is KANXPDDHQNKFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2S/c24-21-10-9-18(30-21)15-26-11-13-27(14-12-26)23(29)20-4-2-1-3-19(20)22(28)16-5-7-17(25)8-6-16/h1-10H,11-15H2.
What are the key properties of [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone?
[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 442.94 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 37200999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).