2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C19H20N2O3S — CID 27119061

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C19H20N2O3S/c1-25-18-8-2-5-15(11-18)20-19(22)14-21(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2-11H,12-14H2,1H3,(H,20,22)
InChIKeyFXMGWHDVTOJPGN-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.24
Rot. Bonds8

About 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 27119061) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID27119061
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C19H20N2O3S/c1-25-18-8-2-5-15(11-18)20-19(22)14-21(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2-11H,12-14H2,1H3,(H,20,22)
InChIKeyFXMGWHDVTOJPGN-UHFFFAOYSA-N
XLogP4.24
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
N-(3-methylsulfanylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27096610
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 27119061) is 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c1.
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is FXMGWHDVTOJPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-25-18-8-2-5-15(11-18)20-19(22)14-21(12-16-6-3-9-23-16)13-17-7-4-10-24-17/h2-11H,12-14H2,1H3,(H,20,22).
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 27119061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).