N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H21N5O2S — CID 6375246

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESC/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C23H21N5O2S/c1-16-10-12-19(13-11-16)28-22(18-7-4-3-5-8-18)26-27-23(28)31-15-21(29)25-24-17(2)20-9-6-14-30-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-17-
InChIKeyWGWWLXFCPVGBEY-ULJHMMPZSA-N
MW431.52 g/mol
LogP4.47
Rot. Bonds7

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6375246) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6375246
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESC/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C23H21N5O2S/c1-16-10-12-19(13-11-16)28-22(18-7-4-3-5-8-18)26-27-23(28)31-15-21(29)25-24-17(2)20-9-6-14-30-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-17-
InChIKeyWGWWLXFCPVGBEY-ULJHMMPZSA-N
XLogP4.47
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6374018
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4505353
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6370792
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethylideneamino)acetamide
CID 1354703
2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6132972
N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6866870
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922044
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 1388445
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 6374110
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3944007
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-1-(2-fluorophenyl)ethylideneamino]acetamide
CID 16556141
N-[(E)-benzylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6886344

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6375246) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is WGWWLXFCPVGBEY-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-16-10-12-19(13-11-16)28-22(18-7-4-3-5-8-18)26-27-23(28)31-15-21(29)25-24-17(2)20-9-6-14-30-20/h3-14H,15H2,1-2H3,(H,25,29)/b24-17-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6375246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).