N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide

C11H11F2NOS — CID 52644992

IUPACN-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NOS/c1-2-5-16-7-11(15)14-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyCEWXBBROANWDIX-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.82
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide

N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide (PubChem CID 52644992) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
PubChem CID52644992
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC NameN-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
SMILESC=CCSCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H11F2NOS/c1-2-5-16-7-11(15)14-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15)
InChIKeyCEWXBBROANWDIX-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
N-(2,4-difluorophenyl)sulfonyl-2-prop-2-enylsulfanylacetamide
CID 47052050
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
CID 134017107
N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807414
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide (CID 52644992) is N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide is C=CCSCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide?
The InChIKey is CEWXBBROANWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-2-5-16-7-11(15)14-10-4-3-8(12)6-9(10)13/h2-4,6H,1,5,7H2,(H,14,15).
What are the key properties of N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide?
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide has a molecular weight of 243.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide is sourced from PubChem (CID 52644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).