N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide

C16H22FN3O4S — CID 113097715

IUPACN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
SMILESCCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O4S/c1-2-10-25(23,24)16(22)18-12-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,18,22)
InChIKeyWAUNEJDVXLFGIN-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.01
Rot. Bonds5

About N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide

N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide (PubChem CID 113097715) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
PubChem CID113097715
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
SMILESCCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O4S/c1-2-10-25(23,24)16(22)18-12-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,18,22)
InChIKeyWAUNEJDVXLFGIN-UHFFFAOYSA-N
XLogP1.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide
CID 113097571
1-butylsulfonyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097572
1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097466
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
1-butylsulfonyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]formamide
CID 113097520
2-(3-fluoroanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004075
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide (CID 113097715) is N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide is CCCS(=O)(=O)C(=O)NCC(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide?
The InChIKey is WAUNEJDVXLFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-2-10-25(23,24)16(22)18-12-15(21)20-8-6-19(7-9-20)14-5-3-4-13(17)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,18,22).
What are the key properties of N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide?
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide has a molecular weight of 371.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-propylsulfonylformamide is sourced from PubChem (CID 113097715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).