N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

C25H26FN3O3S — CID 15945370

IUPACN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26FN3O3S/c1-19-7-13-23(14-8-19)33(31,32)29-17-15-28(16-18-29)24(20-5-3-2-4-6-20)25(30)27-22-11-9-21(26)10-12-22/h2-14,24H,15-18H2,1H3,(H,27,30)
InChIKeyDWQZVNMOZYKLSJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.82
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (PubChem CID 15945370) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
PubChem CID15945370
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H26FN3O3S/c1-19-7-13-23(14-8-19)33(31,32)29-17-15-28(16-18-29)24(20-5-3-2-4-6-20)25(30)27-22-11-9-21(26)10-12-22/h2-14,24H,15-18H2,1H3,(H,27,30)
InChIKeyDWQZVNMOZYKLSJ-UHFFFAOYSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (CID 15945370) is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The InChIKey is DWQZVNMOZYKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-19-7-13-23(14-8-19)33(31,32)29-17-15-28(16-18-29)24(20-5-3-2-4-6-20)25(30)27-22-11-9-21(26)10-12-22/h2-14,24H,15-18H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide has a molecular weight of 467.57 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 15945370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).