N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

C21H21N3O3S — CID 1176220

IUPACN-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)cc2c1
InChIInChI=1S/C21H21N3O3S/c1-13-10-15-11-18(27-3)8-9-19(15)24-21(13)28-12-20(26)23-17-6-4-16(5-7-17)22-14(2)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUFOPGEOQXRINGH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.24
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1176220) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1176220
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)cc2c1
InChIInChI=1S/C21H21N3O3S/c1-13-10-15-11-18(27-3)8-9-19(15)24-21(13)28-12-20(26)23-17-6-4-16(5-7-17)22-14(2)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyUFOPGEOQXRINGH-UHFFFAOYSA-N
XLogP4.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1134598
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 689230
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
methyl 4-[[2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995960
N-(2,4-dimethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173456

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 1176220) is N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is COc1ccc2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)cc2c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UFOPGEOQXRINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-10-15-11-18(27-3)8-9-19(15)24-21(13)28-12-20(26)23-17-6-4-16(5-7-17)22-14(2)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).