2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide

C20H22N6O3S — CID 73325264

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NN=Cc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H22N6O3S/c1-14(2)29-18-7-5-4-6-15(18)12-21-22-19(27)13-30-20-23-24-25-26(20)16-8-10-17(28-3)11-9-16/h4-12,14H,13H2,1-3H3,(H,22,27)
InChIKeyREEMRQMZBKUYOU-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.70
Rot. Bonds9

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide (PubChem CID 73325264) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide
PubChem CID73325264
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NN=Cc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H22N6O3S/c1-14(2)29-18-7-5-4-6-15(18)12-21-22-19(27)13-30-20-23-24-25-26(20)16-8-10-17(28-3)11-9-16/h4-12,14H,13H2,1-3H3,(H,22,27)
InChIKeyREEMRQMZBKUYOU-UHFFFAOYSA-N
XLogP2.70
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 42992113
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 5431850
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3907728
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 998134
N-[2-(2-methoxyphenoxy)ethyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682552
N-[(2-methoxyphenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1389600
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 16539106
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6284079
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6887526
N-[(Z)-(4,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 136780571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide (CID 73325264) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide is COc1ccc(-n2nnnc2SCC(=O)NN=Cc2ccccc2OC(C)C)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide?
The InChIKey is REEMRQMZBKUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-14(2)29-18-7-5-4-6-15(18)12-21-22-19(27)13-30-20-23-24-25-26(20)16-8-10-17(28-3)11-9-16/h4-12,14H,13H2,1-3H3,(H,22,27).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-propan-2-yloxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 73325264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).