N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H19N5OS2 — CID 2211422

IUPACN-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H19N5OS2/c1-12-8-9-13(2)14(10-12)19-17(24)11-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyZMUCDLNRFKEXBT-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.73
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2211422) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2211422
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H19N5OS2/c1-12-8-9-13(2)14(10-12)19-17(24)11-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyZMUCDLNRFKEXBT-UHFFFAOYSA-N
XLogP3.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide 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-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 7862578
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(2,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-methyl-acetamide
CID 857583
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
N-(2-methylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1294921
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 15945232
N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide
CID 1078044
N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1015987
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
CID 1038842

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2211422) is N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is CSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZMUCDLNRFKEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-12-8-9-13(2)14(10-12)19-17(24)11-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 385.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2211422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).