2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C14H15F2NOS — CID 78807815

IUPAC2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H15F2NOS/c15-14(16)19-12-8-4-3-7-11(12)17-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10,14H,2,6,9H2,(H,17,18)
InChIKeyBPCLABWETVQIQB-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.30
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 78807815) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID78807815
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1C=CCC1)Nc1ccccc1SC(F)F
InChIInChI=1S/C14H15F2NOS/c15-14(16)19-12-8-4-3-7-11(12)17-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10,14H,2,6,9H2,(H,17,18)
InChIKeyBPCLABWETVQIQB-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]-3,4,4-trimethylpentanamide
CID 86901395
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
2-[cyclopentyl(methyl)amino]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 51271632
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
2-cyclopent-2-en-1-yl-N-[2-(2,3-dihydroindol-1-yl)phenyl]acetamide
CID 43066797
N-[2-[(2-cyclopent-2-en-1-ylacetyl)amino]phenyl]hexa-2,4-dienamide
CID 72688727

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 78807815) is 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CC1C=CCC1)Nc1ccccc1SC(F)F.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is BPCLABWETVQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c15-14(16)19-12-8-4-3-7-11(12)17-13(18)9-10-5-1-2-6-10/h1,3-5,7-8,10,14H,2,6,9H2,(H,17,18).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 283.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 78807815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).