N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide

C22H25N3OS — CID 1440475

IUPACN-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C22H25N3OS/c1-5-16-13-17-7-6-15(2)12-20(17)24-22(16)27-14-21(26)23-18-8-10-19(11-9-18)25(3)4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyYWMRCHPCADVGNB-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.90
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1440475) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1440475
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C22H25N3OS/c1-5-16-13-17-7-6-15(2)12-20(17)24-22(16)27-14-21(26)23-18-8-10-19(11-9-18)25(3)4/h6-13H,5,14H2,1-4H3,(H,23,26)
InChIKeyYWMRCHPCADVGNB-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440450
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
N-[4-(dimethylamino-hydroxy-oxo-λ6-sulfanylidene)cyclohexa-2,5-dien-1-ylidene]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 126419287
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 3207929
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 43812159
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide (CID 1440475) is N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide is CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is YWMRCHPCADVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-5-16-13-17-7-6-15(2)12-20(17)24-22(16)27-14-21(26)23-18-8-10-19(11-9-18)25(3)4/h6-13H,5,14H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 379.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1440475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).