[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate

C21H19ClN2O3S — CID 7175294

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OCC(=O)NCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-20(24-18-5-3-2-4-17(14)18)28-13-21(26)27-12-19(25)23-11-15-6-8-16(22)9-7-15/h2-10H,11-13H2,1H3,(H,23,25)
InChIKeyGLXAPNSJOOQBRS-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.15
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate (PubChem CID 7175294) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
PubChem CID7175294
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
SMILESCc1cc(SCC(=O)OCC(=O)NCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H19ClN2O3S/c1-14-10-20(24-18-5-3-2-4-17(14)18)28-13-21(26)27-12-19(25)23-11-15-6-8-16(22)9-7-15/h2-10H,11-13H2,1H3,(H,23,25)
InChIKeyGLXAPNSJOOQBRS-UHFFFAOYSA-N
XLogP4.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate with MolForge

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Related Compounds

4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
(2,4-dichlorophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175283
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 11888462
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175271
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175268
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7487625
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503211
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate (CID 7175294) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate is Cc1cc(SCC(=O)OCC(=O)NCc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
The InChIKey is GLXAPNSJOOQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-10-20(24-18-5-3-2-4-17(14)18)28-13-21(26)27-12-19(25)23-11-15-6-8-16(22)9-7-15/h2-10H,11-13H2,1H3,(H,23,25).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate has a molecular weight of 414.91 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate is sourced from PubChem (CID 7175294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).