N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide

C17H25FN4O4S — CID 2925061

IUPACN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWPURONNFVGOBHD-UHFFFAOYSA-N
MW400.48 g/mol
LogP-0.23
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide (PubChem CID 2925061) has the molecular formula C17H25FN4O4S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
PubChem CID2925061
Molecular FormulaC17H25FN4O4S
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyWPURONNFVGOBHD-UHFFFAOYSA-N
XLogP-0.23
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
FR 121196
CID 131688
N-{2-[(phenylsulfonyl)amino]ethyl}acetamide
CID 235761
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide (CID 2925061) is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The InChIKey is WPURONNFVGOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide has a molecular weight of 400.48 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2925061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).