N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide

C17H21NO3S — CID 111463790

IUPACN-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
SMILESCC(CO)CSCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3S/c1-13(10-19)11-22-12-14-4-2-5-15(8-14)17(20)18-9-16-6-3-7-21-16/h2-8,13,19H,9-12H2,1H3,(H,18,20)
InChIKeyUCWNOPPZHCOPFX-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.07
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide

N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide (PubChem CID 111463790) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
PubChem CID111463790
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
SMILESCC(CO)CSCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3S/c1-13(10-19)11-22-12-14-4-2-5-15(8-14)17(20)18-9-16-6-3-7-21-16/h2-8,13,19H,9-12H2,1H3,(H,18,20)
InChIKeyUCWNOPPZHCOPFX-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.07
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
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 55909368
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 47061692
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-[(1-thiophen-2-ylethylamino)methyl]benzamide
CID 84588055
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111058452
N-(furan-2-ylmethyl)-3-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111236435
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide (CID 111463790) is N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide is CC(CO)CSCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide?
The InChIKey is UCWNOPPZHCOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13(10-19)11-22-12-14-4-2-5-15(8-14)17(20)18-9-16-6-3-7-21-16/h2-8,13,19H,9-12H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide?
N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide has a molecular weight of 319.43 g/mol, XLogP of 3.07, 8 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-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 111463790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).