2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C20H25N5O2S — CID 9027162

IUPAC2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C
InChIInChI=1S/C20H25N5O2S/c1-12-4-3-5-16(13(12)2)22-17(26)10-21-18(27)11-28-20-24-23-19(14-6-7-14)25(20)15-8-9-15/h3-5,14-15H,6-11H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyUNUDIZPANPCDJG-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.95
Rot. Bonds8

About 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9027162) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9027162
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C
InChIInChI=1S/C20H25N5O2S/c1-12-4-3-5-16(13(12)2)22-17(26)10-21-18(27)11-28-20-24-23-19(14-6-7-14)25(20)15-8-9-15/h3-5,14-15H,6-11H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyUNUDIZPANPCDJG-UHFFFAOYSA-N
XLogP2.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)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-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 8649786
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 40585673
2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 17268105
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 8970207
N-(3-acetamidophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8971129
2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 9027318
2-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4782629
N-(2,3-dimethylphenyl)-2-[[2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetyl]amino]acetamide
CID 7940410
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8971120
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7665218
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9440214
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 7030479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 9027162) is 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C.
What is the InChIKey of 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UNUDIZPANPCDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-12-4-3-5-16(13(12)2)22-17(26)10-21-18(27)11-28-20-24-23-19(14-6-7-14)25(20)15-8-9-15/h3-5,14-15H,6-11H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9027162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).