2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

C24H26N6O2S — CID 55853729

IUPAC2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(OCc3nccn3C)cc2)nnc1-c1cccc(C)c1
InChIInChI=1S/C24H26N6O2S/c1-4-30-23(18-7-5-6-17(2)14-18)27-28-24(30)33-16-22(31)26-19-8-10-20(11-9-19)32-15-21-25-12-13-29(21)3/h5-14H,4,15-16H2,1-3H3,(H,26,31)
InChIKeyMUZREDBZHKWSTH-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.32
Rot. Bonds9

About 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 55853729) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
PubChem CID55853729
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(OCc3nccn3C)cc2)nnc1-c1cccc(C)c1
InChIInChI=1S/C24H26N6O2S/c1-4-30-23(18-7-5-6-17(2)14-18)27-28-24(30)33-16-22(31)26-19-8-10-20(11-9-19)32-15-21-25-12-13-29(21)3/h5-14H,4,15-16H2,1-3H3,(H,26,31)
InChIKeyMUZREDBZHKWSTH-UHFFFAOYSA-N
XLogP4.32
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-[4-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]carbamate
CID 55804829
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901920
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2044735
2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 1079677
2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 1303668
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040423
N-(3-chloro-4-methylphenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27444425
2-[[4-ethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 39855316
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51241716
2-[[5-(3-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 21371162
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56500176
N-[4-[1-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]ethyl]phenyl]propanamide
CID 55655807

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide (CID 55853729) is 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is CCn1c(SCC(=O)Nc2ccc(OCc3nccn3C)cc2)nnc1-c1cccc(C)c1.
What is the InChIKey of 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is MUZREDBZHKWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-4-30-23(18-7-5-6-17(2)14-18)27-28-24(30)33-16-22(31)26-19-8-10-20(11-9-19)32-15-21-25-12-13-29(21)3/h5-14H,4,15-16H2,1-3H3,(H,26,31).
What are the key properties of 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide?
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 55853729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).