2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide

C15H21FN4O4S — CID 8688551

IUPAC2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O4S/c1-17-14(21)10-18-15(22)11-19-6-8-20(9-7-19)25(23,24)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeySOBVPBIKTMAGSG-UHFFFAOYSA-N
MW372.42 g/mol
LogP-1.01
Rot. Bonds6

About 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide

2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide (PubChem CID 8688551) has the molecular formula C15H21FN4O4S and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
PubChem CID8688551
Molecular FormulaC15H21FN4O4S
Molecular Weight372.42 g/mol
Exact Mass372.13
IUPAC Name2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O4S/c1-17-14(21)10-18-15(22)11-19-6-8-20(9-7-19)25(23,24)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeySOBVPBIKTMAGSG-UHFFFAOYSA-N
XLogP-1.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8688477
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8688511
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
N-ethyl-2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]acetamide
CID 8687545
N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200333
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 8687525
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide (CID 8688551) is 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide is CNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide?
The InChIKey is SOBVPBIKTMAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O4S/c1-17-14(21)10-18-15(22)11-19-6-8-20(9-7-19)25(23,24)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide?
2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide has a molecular weight of 372.42 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide is sourced from PubChem (CID 8688551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).