2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide

C16H22F2N4O4S — CID 8771582

IUPAC2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N4O4S/c1-2-19-15(23)10-20-16(24)11-21-5-7-22(8-6-21)27(25,26)14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyTUTJLZVTNCWOSM-UHFFFAOYSA-N
MW404.44 g/mol
LogP-0.48
Rot. Bonds7

About 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide

2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide (PubChem CID 8771582) has the molecular formula C16H22F2N4O4S and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
PubChem CID8771582
Molecular FormulaC16H22F2N4O4S
Molecular Weight404.44 g/mol
Exact Mass404.13
IUPAC Name2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N4O4S/c1-2-19-15(23)10-20-16(24)11-21-5-7-22(8-6-21)27(25,26)14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyTUTJLZVTNCWOSM-UHFFFAOYSA-N
XLogP-0.48
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590
2-[[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-ethylacetamide
CID 8797288
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
CID 112796986
N-ethyl-2-[4-(3-fluoro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 60539728
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8771395
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
N-ethyl-2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]acetamide
CID 8692331

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide (CID 8771582) is 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide?
The InChIKey is TUTJLZVTNCWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O4S/c1-2-19-15(23)10-20-16(24)11-21-5-7-22(8-6-21)27(25,26)14-4-3-12(17)9-13(14)18/h3-4,9H,2,5-8,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide?
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide has a molecular weight of 404.44 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 8771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).