2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide

C15H19F2N3O2S — CID 8870925

IUPAC2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CSc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2S/c1-18-14(21)9-19-4-6-20(7-5-19)15(22)10-23-13-8-11(16)2-3-12(13)17/h2-3,8H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyGYEWJVAYEHQTME-UHFFFAOYSA-N
MW343.40 g/mol
LogP0.95
Rot. Bonds5

About 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 8870925) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
PubChem CID8870925
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)CSc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2S/c1-18-14(21)9-19-4-6-20(7-5-19)15(22)10-23-13-8-11(16)2-3-12(13)17/h2-3,8H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyGYEWJVAYEHQTME-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8926504
2-[4-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 78803723
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone
CID 9303446
N-(3-fluorophenyl)-2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 9020255
2-(2,4-difluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43393816
2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 24657414
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166
2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 3831420
N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8923687
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55376747
2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-N-propylacetamide
CID 8786941

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide (CID 8870925) is 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)CSc2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is GYEWJVAYEHQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-18-14(21)9-19-4-6-20(7-5-19)15(22)10-23-13-8-11(16)2-3-12(13)17/h2-3,8H,4-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 343.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8870925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).