N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide

C23H24ClN3O2S — CID 2443834

IUPACN-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(C)c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc(C)c2c1
InChIInChI=1S/C23H24ClN3O2S/c1-14-9-16(3)23-17(10-14)15(2)11-21(26-23)30-13-22(29)27(4)12-20(28)25-19-8-6-5-7-18(19)24/h5-11H,12-13H2,1-4H3,(H,25,28)
InChIKeyDWQMHLXMZRWCPR-UHFFFAOYSA-N
MW441.98 g/mol
LogP5.00
Rot. Bonds6

About N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide (PubChem CID 2443834) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide
PubChem CID2443834
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(C)c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc(C)c2c1
InChIInChI=1S/C23H24ClN3O2S/c1-14-9-16(3)23-17(10-14)15(2)11-21(26-23)30-13-22(29)27(4)12-20(28)25-19-8-6-5-7-18(19)24/h5-11H,12-13H2,1-4H3,(H,25,28)
InChIKeyDWQMHLXMZRWCPR-UHFFFAOYSA-N
XLogP5.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.98
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9456581
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988228
N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 41404014
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide (CID 2443834) is N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide is Cc1cc(C)c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc(C)c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is DWQMHLXMZRWCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-14-9-16(3)23-17(10-14)15(2)11-21(26-23)30-13-22(29)27(4)12-20(28)25-19-8-6-5-7-18(19)24/h5-11H,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 441.98 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 2443834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).