N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide

C19H20N2O2S — CID 84588055

IUPACN-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide
SMILESCC(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccs1
InChIInChI=1S/C19H20N2O2S/c1-14(18-8-4-10-24-18)20-12-15-5-2-6-16(11-15)19(22)21-13-17-7-3-9-23-17/h2-11,14,20H,12-13H2,1H3,(H,21,22)
InChIKeyQLOKXHINIFGVIY-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.12
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide

N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide (PubChem CID 84588055) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide
PubChem CID84588055
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide
SMILESCC(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccs1
InChIInChI=1S/C19H20N2O2S/c1-14(18-8-4-10-24-18)20-12-15-5-2-6-16(11-15)19(22)21-13-17-7-3-9-23-17/h2-11,14,20H,12-13H2,1H3,(H,21,22)
InChIKeyQLOKXHINIFGVIY-UHFFFAOYSA-N
XLogP4.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[(2R)-butan-2-yl]-3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]benzamide
CID 97230259
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111258986
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
CID 111463790
N-(furan-2-ylmethyl)-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111940398
3-[[bis(dimethylamino)methylideneamino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111058475

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide (CID 84588055) is N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide is CC(NCc1cccc(C(=O)NCc2ccco2)c1)c1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide?
The InChIKey is QLOKXHINIFGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(18-8-4-10-24-18)20-12-15-5-2-6-16(11-15)19(22)21-13-17-7-3-9-23-17/h2-11,14,20H,12-13H2,1H3,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide?
N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide is sourced from PubChem (CID 84588055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).