2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide

C15H14F2N2O3S — CID 9080896

IUPAC2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)CSc1cc(F)ccc1F)NCc1ccco1
InChIInChI=1S/C15H14F2N2O3S/c16-10-3-4-12(17)13(6-10)23-9-15(21)19-8-14(20)18-7-11-2-1-5-22-11/h1-6H,7-9H2,(H,18,20)(H,19,21)
InChIKeyNHSYEMJXFRXDKA-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.08
Rot. Bonds7

About 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 9080896) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID9080896
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)CSc1cc(F)ccc1F)NCc1ccco1
InChIInChI=1S/C15H14F2N2O3S/c16-10-3-4-12(17)13(6-10)23-9-15(21)19-8-14(20)18-7-11-2-1-5-22-11/h1-6H,7-9H2,(H,18,20)(H,19,21)
InChIKeyNHSYEMJXFRXDKA-UHFFFAOYSA-N
XLogP2.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9224560
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 9080896) is 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)CSc1cc(F)ccc1F)NCc1ccco1.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NHSYEMJXFRXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-10-3-4-12(17)13(6-10)23-9-15(21)19-8-14(20)18-7-11-2-1-5-22-11/h1-6H,7-9H2,(H,18,20)(H,19,21).
What are the key properties of 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 340.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 9080896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).