N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide

C19H20N4O2S — CID 46987131

IUPACN-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CSc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C19H20N4O2S/c1-2-23(12-6-10-15-8-4-3-5-9-15)17(24)14-26-19-20-18(21-22-19)16-11-7-13-25-16/h3-11,13H,2,12,14H2,1H3,(H,20,21,22)/b10-6+
InChIKeyDEYGCKSBLOFQBM-UXBLZVDNSA-N
MW368.46 g/mol
LogP3.72
Rot. Bonds8

About N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide

N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 46987131) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID46987131
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CSc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C19H20N4O2S/c1-2-23(12-6-10-15-8-4-3-5-9-15)17(24)14-26-19-20-18(21-22-19)16-11-7-13-25-16/h3-11,13H,2,12,14H2,1H3,(H,20,21,22)/b10-6+
InChIKeyDEYGCKSBLOFQBM-UXBLZVDNSA-N
XLogP3.72
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7398414
N,N-bis(2-methylpropyl)-2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55518002
3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole
CID 735682
N,N-dimethyl-2-[[5-(2-phenylethenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 91941280
1-[(1R,2R,4S)-2-ethyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 146046139
N-[(4-methylphenyl)methyl]-2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 55518512
N-ethyl-N-(2-methylphenyl)-2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55518599
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 46983852
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 131948393
2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 154796953
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8848507
4-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 6957718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 46987131) is N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide is CCN(C/C=C/c1ccccc1)C(=O)CSc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is DEYGCKSBLOFQBM-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-23(12-6-10-15-8-4-3-5-9-15)17(24)14-26-19-20-18(21-22-19)16-11-7-13-25-16/h3-11,13H,2,12,14H2,1H3,(H,20,21,22)/b10-6+.
What are the key properties of N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide?
N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 46987131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).