N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide

C22H24N2O3S — CID 1440450

IUPACN-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-5-15-9-16-7-6-14(2)8-20(16)24-22(15)28-13-21(25)23-17-10-18(26-3)12-19(11-17)27-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyCBMHALCPDNLFAC-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.85
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1440450) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1440450
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C22H24N2O3S/c1-5-15-9-16-7-6-14(2)8-20(16)24-22(15)28-13-21(25)23-17-10-18(26-3)12-19(11-17)27-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyCBMHALCPDNLFAC-UHFFFAOYSA-N
XLogP4.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440475
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3208098
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 3208331
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450481
N'-[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 1440438
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 3208160
N-(3,5-dimethoxyphenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 23847341
N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 3208084

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide (CID 1440450) is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide is CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CBMHALCPDNLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-5-15-9-16-7-6-14(2)8-20(16)24-22(15)28-13-21(25)23-17-10-18(26-3)12-19(11-17)27-4/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 396.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1440450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).