2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

C20H21FN2O4S — CID 134000230

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(F)c1
InChIInChI=1S/C20H21FN2O4S/c1-13(24)14-4-5-18(16(21)11-14)28-12-19(25)22-15-6-8-23(9-7-15)20(26)17-3-2-10-27-17/h2-5,10-11,15H,6-9,12H2,1H3,(H,22,25)
InChIKeyDMSWUIFCCUUULO-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 134000230) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID134000230
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(F)c1
InChIInChI=1S/C20H21FN2O4S/c1-13(24)14-4-5-18(16(21)11-14)28-12-19(25)22-15-6-8-23(9-7-15)20(26)17-3-2-10-27-17/h2-5,10-11,15H,6-9,12H2,1H3,(H,22,25)
InChIKeyDMSWUIFCCUUULO-UHFFFAOYSA-N
XLogP3.13
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 134000288
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 18149429
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46525194
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
[4-[[1-(2,6-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 154793880
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 46510369
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (CID 134000230) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is CC(=O)c1ccc(SCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is DMSWUIFCCUUULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-13(24)14-4-5-18(16(21)11-14)28-12-19(25)22-15-6-8-23(9-7-15)20(26)17-3-2-10-27-17/h2-5,10-11,15H,6-9,12H2,1H3,(H,22,25).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 134000230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).