2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide

C24H29N5O2S — CID 31979824

IUPAC2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nncn1-c1ccc(C)c(C)c1
InChIInChI=1S/C24H29N5O2S/c1-5-12-28(14-22(30)26-21-9-7-6-8-18(21)3)23(31)15-32-24-27-25-16-29(24)20-11-10-17(2)19(4)13-20/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,26,30)
InChIKeyITOLLJUSZWIKLK-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.16
Rot. Bonds9

About 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 31979824) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID31979824
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nncn1-c1ccc(C)c(C)c1
InChIInChI=1S/C24H29N5O2S/c1-5-12-28(14-22(30)26-21-9-7-6-8-18(21)3)23(31)15-32-24-27-25-16-29(24)20-11-10-17(2)19(4)13-20/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,26,30)
InChIKeyITOLLJUSZWIKLK-UHFFFAOYSA-N
XLogP4.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

N-(2-methylphenyl)-2-[[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]acetamide
CID 41425102
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 41479325
2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42070616
N-(2-methylphenyl)-2-[propyl-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]acetamide
CID 30051052
N-(2-cyclopentylsulfanylphenyl)-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32560515
2-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42374590
N-(3-acetamido-4-methylphenyl)-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55746745
ethyl N-[2-[ethyl-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetyl]carbamate
CID 9345027
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 24662734
N-(2-methylphenyl)-2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-propylamino]acetamide
CID 30060625
N-[5-chloro-2-(dimethylamino)phenyl]-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55504143
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 31979824) is 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nncn1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is ITOLLJUSZWIKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-5-12-28(14-22(30)26-21-9-7-6-8-18(21)3)23(31)15-32-24-27-25-16-29(24)20-11-10-17(2)19(4)13-20/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,26,30).
What are the key properties of 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 451.60 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 31979824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).