2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide

C20H20F4N2O2S2 — CID 4215969

IUPAC2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCCCCSCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C20H20F4N2O2S2/c21-13-3-5-17(15(23)9-13)25-19(27)11-29-7-1-2-8-30-12-20(28)26-18-6-4-14(22)10-16(18)24/h3-6,9-10H,1-2,7-8,11-12H2,(H,25,27)(H,26,28)
InChIKeyLVADBJRXZVCKBG-UHFFFAOYSA-N
MW460.52 g/mol
LogP5.07
Rot. Bonds11

About 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide

2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 4215969) has the molecular formula C20H20F4N2O2S2 and a molecular weight of 460.52 g/mol. Its IUPAC name is 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID4215969
Molecular FormulaC20H20F4N2O2S2
Molecular Weight460.52 g/mol
Exact Mass460.09
IUPAC Name2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCCCCSCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C20H20F4N2O2S2/c21-13-3-5-17(15(23)9-13)25-19(27)11-29-7-1-2-8-30-12-20(28)26-18-6-4-14(22)10-16(18)24/h3-6,9-10H,1-2,7-8,11-12H2,(H,25,27)(H,26,28)
InChIKeyLVADBJRXZVCKBG-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
CID 134017107
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N-(2,4-difluorophenyl)hexanamide
CID 3484261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 4215969) is 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide is O=C(CSCCCCSCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is LVADBJRXZVCKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2S2/c21-13-3-5-17(15(23)9-13)25-19(27)11-29-7-1-2-8-30-12-20(28)26-18-6-4-14(22)10-16(18)24/h3-6,9-10H,1-2,7-8,11-12H2,(H,25,27)(H,26,28).
What are the key properties of 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 460.52 g/mol, XLogP of 5.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 4215969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).