propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate

C23H24N2O4S — CID 46302834

IUPACpropan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
SMILESCOc1cccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)nc12
InChIInChI=1S/C23H24N2O4S/c1-14(2)29-23(27)16-7-5-8-17(12-16)24-20(26)13-30-21-11-15(3)18-9-6-10-19(28-4)22(18)25-21/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeySLCDZKWHGOLYNY-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.85
Rot. Bonds7

About propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate

propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate (PubChem CID 46302834) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
PubChem CID46302834
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Namepropan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
SMILESCOc1cccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)nc12
InChIInChI=1S/C23H24N2O4S/c1-14(2)29-23(27)16-7-5-8-17(12-16)24-20(26)13-30-21-11-15(3)18-9-6-10-19(28-4)22(18)25-21/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeySLCDZKWHGOLYNY-UHFFFAOYSA-N
XLogP4.85
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate with MolForge

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Related Compounds

propan-2-yl 3-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 39757955
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302903
propan-2-yl 3-[[2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 3944895
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate?
The IUPAC name of propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate (CID 46302834) is propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate is COc1cccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)nc12.
What is the InChIKey of propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate?
The InChIKey is SLCDZKWHGOLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-14(2)29-23(27)16-7-5-8-17(12-16)24-20(26)13-30-21-11-15(3)18-9-6-10-19(28-4)22(18)25-21/h5-12,14H,13H2,1-4H3,(H,24,26).
What are the key properties of propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate?
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate has a molecular weight of 424.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 46302834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).