N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C15H14N4O2S — CID 134016667

IUPACN-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C15H14N4O2S/c20-14(16-8-12-5-3-7-21-12)13-6-2-1-4-11(13)9-22-15-17-10-18-19-15/h1-7,10H,8-9H2,(H,16,20)(H,17,18,19)
InChIKeyLARFZCSIUPFAHP-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.62
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 134016667) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID134016667
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C15H14N4O2S/c20-14(16-8-12-5-3-7-21-12)13-6-2-1-4-11(13)9-22-15-17-10-18-19-15/h1-7,10H,8-9H2,(H,16,20)(H,17,18,19)
InChIKeyLARFZCSIUPFAHP-UHFFFAOYSA-N
XLogP2.62
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 8005935
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 68957437
N-[4-(4-fluorophenoxy)butyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 134056036
N-benzyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55334081
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 83273797
methyl 2-amino-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate
CID 113457458
N-(furan-2-ylmethyl)-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 83274475
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838
N-(furan-2-ylmethyl)-2-[[5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 83275899
N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112812140
N-(furan-2-ylmethyl)-2-[[4-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 97037301
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 134016667) is N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(NCc1ccco1)c1ccccc1CSc1ncn[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is LARFZCSIUPFAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-14(16-8-12-5-3-7-21-12)13-6-2-1-4-11(13)9-22-15-17-10-18-19-15/h1-7,10H,8-9H2,(H,16,20)(H,17,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(furan-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 314.37 g/mol, XLogP of 2.62, 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)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 134016667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).