N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

C22H23N3O2S — CID 40605922

IUPACN-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-13-9-15(3)22-19(10-13)14(2)11-21(25-22)28-12-20(27)24-18-7-5-17(6-8-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyLHCDLDFABFTSFV-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.85
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 40605922) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID40605922
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C22H23N3O2S/c1-13-9-15(3)22-19(10-13)14(2)11-21(25-22)28-12-20(27)24-18-7-5-17(6-8-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyLHCDLDFABFTSFV-UHFFFAOYSA-N
XLogP4.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
methyl 2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 46302735
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
N-[(3,4-dimethoxyphenyl)methyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 4852619
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
1-piperidin-1-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 860360
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide (CID 40605922) is N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is LHCDLDFABFTSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13-9-15(3)22-19(10-13)14(2)11-21(25-22)28-12-20(27)24-18-7-5-17(6-8-18)23-16(4)26/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 393.51 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 40605922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).