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

C24H21N5O2S — CID 6866870

IUPACN-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccco3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H21N5O2S/c1-18-11-13-20(14-12-18)29-23(19-7-3-2-4-8-19)27-28-24(29)32-17-22(30)26-25-15-5-9-21-10-6-16-31-21/h2-16H,17H2,1H3,(H,26,30)/b9-5-,25-15-
InChIKeySRUPAXPXBQFDKB-CMKNTCKNSA-N
MW443.53 g/mol
LogP4.74
Rot. Bonds8

About 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

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 (PubChem CID 6866870) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6866870
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccco3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H21N5O2S/c1-18-11-13-20(14-12-18)29-23(19-7-3-2-4-8-19)27-28-24(29)32-17-22(30)26-25-15-5-9-21-10-6-16-31-21/h2-16H,17H2,1H3,(H,26,30)/b9-5-,25-15-
InChIKeySRUPAXPXBQFDKB-CMKNTCKNSA-N
XLogP4.74
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.74
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-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 6797664
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6880988
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 4594085
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3702082
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6886550
N-[(E)-benzylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6886344
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6879973
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6375246
2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cinnamylideneamino)acetamide
CID 3843971
2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6863341
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135642372
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 1051340

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-n2c(SCC(=O)N/N=C\C=C/c3ccco3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is SRUPAXPXBQFDKB-CMKNTCKNSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-18-11-13-20(14-12-18)29-23(19-7-3-2-4-8-19)27-28-24(29)32-17-22(30)26-25-15-5-9-21-10-6-16-31-21/h2-16H,17H2,1H3,(H,26,30)/b9-5-,25-15-.
What are the key properties of 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?
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 has a molecular weight of 443.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 6866870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).