N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide

C23H20Cl2N4OS2 — CID 1065097

IUPACN-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1CSc1nnc(CNC(=O)Cc2cccs2)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N4OS2/c1-15-5-2-3-6-16(15)14-32-23-28-27-21(13-26-22(30)12-18-7-4-10-31-18)29(23)20-11-17(24)8-9-19(20)25/h2-11H,12-14H2,1H3,(H,26,30)
InChIKeyVOGKPPKUNKJIIG-UHFFFAOYSA-N
MW503.48 g/mol
LogP6.10
Rot. Bonds8

About N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide

N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 1065097) has the molecular formula C23H20Cl2N4OS2 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID1065097
Molecular FormulaC23H20Cl2N4OS2
Molecular Weight503.48 g/mol
Exact Mass502.05
IUPAC NameN-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1CSc1nnc(CNC(=O)Cc2cccs2)n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl2N4OS2/c1-15-5-2-3-6-16(15)14-32-23-28-27-21(13-26-22(30)12-18-7-4-10-31-18)29(23)20-11-17(24)8-9-19(20)25/h2-11H,12-14H2,1H3,(H,26,30)
InChIKeyVOGKPPKUNKJIIG-UHFFFAOYSA-N
XLogP6.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide 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-chloro-N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]acetamide
CID 1065091
1-tert-butyl-3-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea
CID 1065949
1-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3637598
N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-pentylbenzamide
CID 4590592
2,4-dichloro-N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
CID 4237159
1-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,6-dichlorophenyl)urea
CID 3439400
N-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,2-diphenylacetamide
CID 4682307
1-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-ethylurea
CID 1065859
1-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
CID 3901041
1-(4-bromophenyl)-3-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea
CID 42756467
N-[[5-benzylsulfanyl-4-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 4218334
1-(3-bromophenyl)-3-[[4-(5-chloro-2-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]urea
CID 4290808

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 1065097) is N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide is Cc1ccccc1CSc1nnc(CNC(=O)Cc2cccs2)n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is VOGKPPKUNKJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4OS2/c1-15-5-2-3-6-16(15)14-32-23-28-27-21(13-26-22(30)12-18-7-4-10-31-18)29(23)20-11-17(24)8-9-19(20)25/h2-11H,12-14H2,1H3,(H,26,30).
What are the key properties of N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 503.48 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1065097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).