N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

C21H22N2O3S — CID 46302952

IUPACN-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C21H22N2O3S/c1-4-26-17-10-6-5-9-16(17)22-19(24)13-27-20-12-14(2)15-8-7-11-18(25-3)21(15)23-20/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyKIJZKVKUPWYELH-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.68
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 46302952) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID46302952
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C21H22N2O3S/c1-4-26-17-10-6-5-9-16(17)22-19(24)13-27-20-12-14(2)15-8-7-11-18(25-3)21(15)23-20/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyKIJZKVKUPWYELH-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302871
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302903
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
1-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylethanone
CID 46302921
3-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 46302888

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (CID 46302952) is N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1cc(C)c2cccc(OC)c2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is KIJZKVKUPWYELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-4-26-17-10-6-5-9-16(17)22-19(24)13-27-20-12-14(2)15-8-7-11-18(25-3)21(15)23-20/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46302952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).