N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide

C18H17N3O2S — CID 47061692

IUPACN-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
SMILESCc1cnc(SCc2cccc(C(=O)NCc3ccco3)c2)nc1
InChIInChI=1S/C18H17N3O2S/c1-13-9-20-18(21-10-13)24-12-14-4-2-5-15(8-14)17(22)19-11-16-6-3-7-23-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyWJIQQTMWHQSPEB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.60
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide

N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide (PubChem CID 47061692) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
PubChem CID47061692
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
SMILESCc1cnc(SCc2cccc(C(=O)NCc3ccco3)c2)nc1
InChIInChI=1S/C18H17N3O2S/c1-13-9-20-18(21-10-13)24-12-14-4-2-5-15(8-14)17(22)19-11-16-6-3-7-23-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyWJIQQTMWHQSPEB-UHFFFAOYSA-N
XLogP3.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 60529425
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 83277590
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 91634505
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 52695219
N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
CID 111463790
3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 55909368
3-[[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 55874772

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide (CID 47061692) is N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide is Cc1cnc(SCc2cccc(C(=O)NCc3ccco3)c2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide?
The InChIKey is WJIQQTMWHQSPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13-9-20-18(21-10-13)24-12-14-4-2-5-15(8-14)17(22)19-11-16-6-3-7-23-16/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide?
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 47061692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).