N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide

C21H20N2O3S — CID 46302890

IUPACN-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)c3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C21H20N2O3S/c1-13-11-20(23-21-17(13)5-4-6-19(21)26-3)27-12-18(25)15-7-9-16(10-8-15)22-14(2)24/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyDCPZQPQZFZPFJY-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 46302890) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID46302890
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCOc1cccc2c(C)cc(SCC(=O)c3ccc(NC(C)=O)cc3)nc12
InChIInChI=1S/C21H20N2O3S/c1-13-11-20(23-21-17(13)5-4-6-19(21)26-3)27-12-18(25)15-7-9-16(10-8-15)22-14(2)24/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyDCPZQPQZFZPFJY-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
N-[4-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
CID 39768557
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302903

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide (CID 46302890) is N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide is COc1cccc2c(C)cc(SCC(=O)c3ccc(NC(C)=O)cc3)nc12.
What is the InChIKey of N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is DCPZQPQZFZPFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-11-20(23-21-17(13)5-4-6-19(21)26-3)27-12-18(25)15-7-9-16(10-8-15)22-14(2)24/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 46302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).