N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

C22H24N2O2S — CID 46302871

IUPACN-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C22H24N2O2S/c1-5-16-9-6-8-14(2)21(16)23-19(25)13-27-20-12-15(3)17-10-7-11-18(26-4)22(17)24-20/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyHLPVUBVBUMZFSX-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.15
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 46302871) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID46302871
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1cc(C)c2cccc(OC)c2n1
InChIInChI=1S/C22H24N2O2S/c1-5-16-9-6-8-14(2)21(16)23-19(25)13-27-20-12-15(3)17-10-7-11-18(26-4)22(17)24-20/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyHLPVUBVBUMZFSX-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 46302853
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
N-(2,4-dichlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302825
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
propan-2-yl 3-[[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302834
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302903
N-[4-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 46302890
2-[(8-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]benzoic acid
CID 46302924
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
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide (CID 46302871) is N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is CCc1cccc(C)c1NC(=O)CSc1cc(C)c2cccc(OC)c2n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is HLPVUBVBUMZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-16-9-6-8-14(2)21(16)23-19(25)13-27-20-12-15(3)17-10-7-11-18(26-4)22(17)24-20/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 380.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46302871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).