2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C21H20F2N2O2S — CID 55354166

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H20F2N2O2S/c22-21(23)28-19-10-8-17(9-11-19)24-20(26)15-25(14-18-7-4-12-27-18)13-16-5-2-1-3-6-16/h1-12,21H,13-15H2,(H,24,26)
InChIKeyPUYVJCDZPUGZNK-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.24
Rot. Bonds9

About 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 55354166) has the molecular formula C21H20F2N2O2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID55354166
Molecular FormulaC21H20F2N2O2S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C21H20F2N2O2S/c22-21(23)28-19-10-8-17(9-11-19)24-20(26)15-25(14-18-7-4-12-27-18)13-16-5-2-1-3-6-16/h1-12,21H,13-15H2,(H,24,26)
InChIKeyPUYVJCDZPUGZNK-UHFFFAOYSA-N
XLogP5.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2354784
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510998
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881
N-[4-(difluoromethylsulfanyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111334131

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 55354166) is 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is PUYVJCDZPUGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2S/c22-21(23)28-19-10-8-17(9-11-19)24-20(26)15-25(14-18-7-4-12-27-18)13-16-5-2-1-3-6-16/h1-12,21H,13-15H2,(H,24,26).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 402.47 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 55354166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).