N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C22H19BrN4OS — CID 10434734

IUPACN-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12
InChIInChI=1S/C22H19BrN4OS/c1-14-11-12-20(17-8-4-3-7-16(14)17)27-15(2)25-26-22(27)29-13-21(28)24-19-10-6-5-9-18(19)23/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyUYMUKYUFMXAXII-UHFFFAOYSA-N
MW467.39 g/mol
LogP5.53
Rot. Bonds5

About N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 10434734) has the molecular formula C22H19BrN4OS and a molecular weight of 467.39 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID10434734
Molecular FormulaC22H19BrN4OS
Molecular Weight467.39 g/mol
Exact Mass466.05
IUPAC NameN-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12
InChIInChI=1S/C22H19BrN4OS/c1-14-11-12-20(17-8-4-3-7-16(14)17)27-15(2)25-26-22(27)29-13-21(28)24-19-10-6-5-9-18(19)23/h3-12H,13H2,1-2H3,(H,24,28)
InChIKeyUYMUKYUFMXAXII-UHFFFAOYSA-N
XLogP5.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]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

N-(2-bromo-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1296487
N-(2-bromophenyl)-2-[[4-(2,4-dimethyl-1-naphthyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 10480336
N-(2-bromophenyl)-2-[[4-[4-(dimethylamino)-1-naphthyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073626
N-(2-bromophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073043
N-(2-bromo-4-methyl-phenyl)-2-[[5-ethyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073601
N-(2-bromo-4-methyl-phenyl)-2-[[4-(p-tolyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073609
N-(2-chloro-4-methyl-phenyl)-2-[[5-methyl-4-(4-methyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073612
N-(2-chloro-4-methyl-phenyl)-2-[[4-(2,4-dimethyl-1-naphthyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073615
N-(2-chloro-4-methyl-phenyl)-2-[[5-methyl-4-(2-methyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073616
N-(2-chloro-4-methyl-phenyl)-2-[[4-(4-ethyl-1-naphthyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073617
N-(2-chloro-4-methyl-phenyl)-2-[[4-(3,4-dimethyl-1-naphthyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073618
N-(2-bromophenyl)-2-[[4-(4-chloro-1-naphthyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073621

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 10434734) is N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12.
What is the InChIKey of N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is UYMUKYUFMXAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4OS/c1-14-11-12-20(17-8-4-3-7-16(14)17)27-15(2)25-26-22(27)29-13-21(28)24-19-10-6-5-9-18(19)23/h3-12H,13H2,1-2H3,(H,24,28).
What are the key properties of N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 467.39 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 10434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).