N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide

C23H23N5O2S — CID 37137317

IUPACN-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nnc2cc(C)c3ccccc3n12
InChIInChI=1S/C23H23N5O2S/c1-3-16-8-4-6-10-18(16)25-21(29)13-24-22(30)14-31-23-27-26-20-12-15(2)17-9-5-7-11-19(17)28(20)23/h4-12H,3,13-14H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyHXKAUPVFFPDGLS-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.60
Rot. Bonds7

About N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 37137317) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID37137317
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1nnc2cc(C)c3ccccc3n12
InChIInChI=1S/C23H23N5O2S/c1-3-16-8-4-6-10-18(16)25-21(29)13-24-22(30)14-31-23-27-26-20-12-15(2)17-9-5-7-11-19(17)28(20)23/h4-12H,3,13-14H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyHXKAUPVFFPDGLS-UHFFFAOYSA-N
XLogP3.60
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]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-ethyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 2612995
N-[(2-methylphenyl)methyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 18201698
N-(cyclopropylmethyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 31084124
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
CID 2613161
N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 8594389
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2613154
N-(4-bromo-3-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 2390501
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
N-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1143807
N-[4-(difluoromethylsulfanyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 35655500
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2408907
N-(1-cyanocyclohexyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 4819525

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide (CID 37137317) is N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)CSc1nnc2cc(C)c3ccccc3n12.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is HXKAUPVFFPDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-3-16-8-4-6-10-18(16)25-21(29)13-24-22(30)14-31-23-27-26-20-12-15(2)17-9-5-7-11-19(17)28(20)23/h4-12H,3,13-14H2,1-2H3,(H,24,30)(H,25,29).
What are the key properties of N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 37137317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).