N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H26BrN3O3S — CID 126018110

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)cc1C
InChIInChI=1S/C23H26BrN3O3S/c1-14-10-17(8-9-19(14)29-4)6-5-7-21-26-27-23(30-21)31-13-20(28)25-22-15(2)11-18(24)12-16(22)3/h8-12H,5-7,13H2,1-4H3,(H,25,28)
InChIKeyFWMYSQVZVMUIGQ-UHFFFAOYSA-N
MW504.45 g/mol
LogP5.67
Rot. Bonds9

About N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 126018110) has the molecular formula C23H26BrN3O3S and a molecular weight of 504.45 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID126018110
Molecular FormulaC23H26BrN3O3S
Molecular Weight504.45 g/mol
Exact Mass503.09
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(CCCc2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)cc1C
InChIInChI=1S/C23H26BrN3O3S/c1-14-10-17(8-9-19(14)29-4)6-5-7-21-26-27-23(30-21)31-13-20(28)25-22-15(2)11-18(24)12-16(22)3/h8-12H,5-7,13H2,1-4H3,(H,25,28)
InChIKeyFWMYSQVZVMUIGQ-UHFFFAOYSA-N
XLogP5.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-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

2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 3437321
2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 126019529
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135603356
N-(5-chloro-2-methoxyphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126019979
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126177183
N-(2-bromo-4,5-dimethylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5096860
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4046923
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 9459038
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 934007
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
methyl 2-[[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 92658683
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112786963

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 126018110) is N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is FWMYSQVZVMUIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3S/c1-14-10-17(8-9-19(14)29-4)6-5-7-21-26-27-23(30-21)31-13-20(28)25-22-15(2)11-18(24)12-16(22)3/h8-12H,5-7,13H2,1-4H3,(H,25,28).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 504.45 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 126018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).