2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C15H19F2N3O2S — CID 2697552

IUPAC2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C15H19F2N3O2S/c1-11(21)20-8-6-19(7-9-20)10-14(22)18-12-2-4-13(5-3-12)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,22)
InChIKeyJTWXKHIJGBUPQY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2697552) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2697552
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C15H19F2N3O2S/c1-11(21)20-8-6-19(7-9-20)10-14(22)18-12-2-4-13(5-3-12)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,22)
InChIKeyJTWXKHIJGBUPQY-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2697552) is 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is JTWXKHIJGBUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-11(21)20-8-6-19(7-9-20)10-14(22)18-12-2-4-13(5-3-12)23-15(16)17/h2-5,15H,6-10H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2697552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).