N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide

C20H17N3O2S — CID 133319105

IUPACN-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C20H17N3O2S/c24-20(23-13-16-5-2-9-25-16)15-4-1-3-14(11-15)12-22-17-6-8-21-18-7-10-26-19(17)18/h1-11H,12-13H2,(H,21,22)(H,23,24)
InChIKeyKCEFJQNKWALDOQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.43
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide

N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide (PubChem CID 133319105) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
PubChem CID133319105
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(CNc2ccnc3ccsc23)c1
InChIInChI=1S/C20H17N3O2S/c24-20(23-13-16-5-2-9-25-16)15-4-1-3-14(11-15)12-22-17-6-8-21-18-7-10-26-19(17)18/h1-11H,12-13H2,(H,21,22)(H,23,24)
InChIKeyKCEFJQNKWALDOQ-UHFFFAOYSA-N
XLogP4.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133317628
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
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
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 133285914
3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 133319102
N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide
CID 84588055
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
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-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide (CID 133319105) is N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide is O=C(NCc1ccco1)c1cccc(CNc2ccnc3ccsc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
The InChIKey is KCEFJQNKWALDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-20(23-13-16-5-2-9-25-16)15-4-1-3-14(11-15)12-22-17-6-8-21-18-7-10-26-19(17)18/h1-11H,12-13H2,(H,21,22)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide?
N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide is sourced from PubChem (CID 133319105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).