N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide

C16H17N5O2S — CID 46993186

IUPACN-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccccn2)Cc2ccco2)n[nH]1
InChIInChI=1S/C16H17N5O2S/c1-12-18-16(20-19-12)24-11-15(22)21(10-14-6-4-8-23-14)9-13-5-2-3-7-17-13/h2-8H,9-11H2,1H3,(H,18,19,20)
InChIKeyMDZOMJMKHGNWAF-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.42
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide

N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46993186) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID46993186
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nc(SCC(=O)N(Cc2ccccn2)Cc2ccco2)n[nH]1
InChIInChI=1S/C16H17N5O2S/c1-12-18-16(20-19-12)24-11-15(22)21(10-14-6-4-8-23-14)9-13-5-2-3-7-17-13/h2-8H,9-11H2,1H3,(H,18,19,20)
InChIKeyMDZOMJMKHGNWAF-UHFFFAOYSA-N
XLogP2.42
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 9019405
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
3-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 52906802
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084805
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 46993186) is N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is Cc1nc(SCC(=O)N(Cc2ccccn2)Cc2ccco2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MDZOMJMKHGNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-18-16(20-19-12)24-11-15(22)21(10-14-6-4-8-23-14)9-13-5-2-3-7-17-13/h2-8H,9-11H2,1H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46993186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).