N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

C13H11F2NO2S — CID 112780738

IUPACN-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO2S/c14-9-3-4-11(15)12(6-9)16-13(17)8-19-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17)
InChIKeyDTCBLPXQTNWIAP-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.43
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 112780738) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID112780738
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC NameN-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO2S/c14-9-3-4-11(15)12(6-9)16-13(17)8-19-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17)
InChIKeyDTCBLPXQTNWIAP-UHFFFAOYSA-N
XLogP3.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 78812700
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979241
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812479
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
N-[2-(cyanomethylsulfanyl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780898

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 112780738) is N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is DTCBLPXQTNWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c14-9-3-4-11(15)12(6-9)16-13(17)8-19-7-10-2-1-5-18-10/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 283.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).