N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide

C25H26FN5O4S — CID 22570095

IUPACN-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3S(C)(=O)=O)CC2)c2ccccc2)cn1
InChIInChI=1S/C25H26FN5O4S/c1-18-15-28-21(16-27-18)25(33)31(20-6-4-3-5-7-20)17-24(32)30-12-10-29(11-13-30)22-9-8-19(26)14-23(22)36(2,34)35/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyNVIUBYAHYLGSRX-UHFFFAOYSA-N
MW511.58 g/mol
LogP2.32
Rot. Bonds6

About N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide

N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide (PubChem CID 22570095) has the molecular formula C25H26FN5O4S and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide
PubChem CID22570095
Molecular FormulaC25H26FN5O4S
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC NameN-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3S(C)(=O)=O)CC2)c2ccccc2)cn1
InChIInChI=1S/C25H26FN5O4S/c1-18-15-28-21(16-27-18)25(33)31(20-6-4-3-5-7-20)17-24(32)30-12-10-29(11-13-30)22-9-8-19(26)14-23(22)36(2,34)35/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyNVIUBYAHYLGSRX-UHFFFAOYSA-N
XLogP2.32
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-phenylbenzamide
CID 22570067
[4-[[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-phenylcarbamoyl]phenyl] acetate
CID 22570066
N-(3-fluorophenyl)-4-methoxy-N-[2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 54246030
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
CID 84590828
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 4212038
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113177614
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 1026200
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167717
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide (CID 22570095) is N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3S(C)(=O)=O)CC2)c2ccccc2)cn1.
What is the InChIKey of N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is NVIUBYAHYLGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4S/c1-18-15-28-21(16-27-18)25(33)31(20-6-4-3-5-7-20)17-24(32)30-12-10-29(11-13-30)22-9-8-19(26)14-23(22)36(2,34)35/h3-9,14-16H,10-13,17H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide?
N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 22570095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).