N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide

C21H18N4O2S — CID 164589603

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccsc4)nn3)c2)o1
InChIInChI=1S/C21H18N4O2S/c1-14-5-6-18(27-14)12-22-21(26)15-3-2-4-17(11-15)23-20-8-7-19(24-25-20)16-9-10-28-13-16/h2-11,13H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYCVWOUSSKQOMPU-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.78
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide

N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide (PubChem CID 164589603) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide
PubChem CID164589603
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccsc4)nn3)c2)o1
InChIInChI=1S/C21H18N4O2S/c1-14-5-6-18(27-14)12-22-21(26)15-3-2-4-17(11-15)23-20-8-7-19(24-25-20)16-9-10-28-13-16/h2-11,13H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYCVWOUSSKQOMPU-UHFFFAOYSA-N
XLogP4.78
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]amino]benzamide
CID 167404149
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-[3-(diethylamino)propyl]-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50778604
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-[(3-methylphenyl)methyl]-2-thiophen-3-ylpyridine-4-carboxamide
CID 53036784
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46327404
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide (CID 164589603) is N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide is Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccsc4)nn3)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide?
The InChIKey is YCVWOUSSKQOMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-5-6-18(27-14)12-22-21(26)15-3-2-4-17(11-15)23-20-8-7-19(24-25-20)16-9-10-28-13-16/h2-11,13H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide?
N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[(6-thiophen-3-ylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 164589603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).