N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C25H22N2O2S — CID 18139498

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cs1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-9-4-3-7-20(22)25-26-18(15-30-25)14-23(28)27-21-13-12-17-11-10-16-6-5-8-19(21)24(16)17/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,27,28)
InChIKeyHOZIMLFATPFPAI-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.64
Rot. Bonds6

About N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 18139498) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID18139498
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cs1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-9-4-3-7-20(22)25-26-18(15-30-25)14-23(28)27-21-13-12-17-11-10-16-6-5-8-19(21)24(16)17/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,27,28)
InChIKeyHOZIMLFATPFPAI-UHFFFAOYSA-N
XLogP5.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
CID 16594941
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
CID 24684242
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 47091926
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 18139498) is N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cs1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HOZIMLFATPFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-2-29-22-9-4-3-7-20(22)25-26-18(15-30-25)14-23(28)27-21-13-12-17-11-10-16-6-5-8-19(21)24(16)17/h3-9,12-13,15H,2,10-11,14H2,1H3,(H,27,28).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18139498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).