N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

C21H24FN3O4S — CID 30855292

IUPACN-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C21H24FN3O4S/c1-16-6-3-4-9-19(16)25(30(2,28)29)15-20(26)23-10-12-24(13-11-23)21(27)17-7-5-8-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCAJXIZVYTXSFHY-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.88
Rot. Bonds5

About N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 30855292) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID30855292
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C21H24FN3O4S/c1-16-6-3-4-9-19(16)25(30(2,28)29)15-20(26)23-10-12-24(13-11-23)21(27)17-7-5-8-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyCAJXIZVYTXSFHY-UHFFFAOYSA-N
XLogP1.88
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 55850341
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 6957245
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 4212038
ethyl 4-[2-(3-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1006889
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1090625
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480284
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
2-(3,4-dimethylphenyl)-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110808116

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (CID 30855292) is N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1N(CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is CAJXIZVYTXSFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-16-6-3-4-9-19(16)25(30(2,28)29)15-20(26)23-10-12-24(13-11-23)21(27)17-7-5-8-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 30855292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).