N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

C22H22N2O2S — CID 1154238

IUPACN-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C)cc1
InChIInChI=1S/C22H22N2O2S/c1-13-9-14(2)19-11-15(3)22(24-20(19)10-13)27-12-21(26)23-18-7-5-17(6-8-18)16(4)25/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyKSOOVFFNGNUJHW-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.09
Rot. Bonds5

About N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1154238) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1154238
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C)cc1
InChIInChI=1S/C22H22N2O2S/c1-13-9-14(2)19-11-15(3)22(24-20(19)10-13)27-12-21(26)23-18-7-5-17(6-8-18)16(4)25/h5-11H,12H2,1-4H3,(H,23,26)
InChIKeyKSOOVFFNGNUJHW-UHFFFAOYSA-N
XLogP5.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-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-acetylphenyl)-2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 1450283
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176176
N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176179
N-(4-acetylphenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 609573
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
N-(4-methylphenyl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169552
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
methyl 2-[[2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3861018
N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide
CID 3207542
N-(4-acetamidophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40605922
N-(4-acetylphenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 5302036

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (CID 1154238) is N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is KSOOVFFNGNUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-13-9-14(2)19-11-15(3)22(24-20(19)10-13)27-12-21(26)23-18-7-5-17(6-8-18)16(4)25/h5-11H,12H2,1-4H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 378.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1154238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).