N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide

C22H24N2O2S — CID 131905415

IUPACN-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
SMILESCSc1cccc(CN(C(=O)Cn2ccc(=O)c3ccccc32)C(C)C)c1
InChIInChI=1S/C22H24N2O2S/c1-16(2)24(14-17-7-6-8-18(13-17)27-3)22(26)15-23-12-11-21(25)19-9-4-5-10-20(19)23/h4-13,16H,14-15H2,1-3H3
InChIKeyWULWKWZIPODEEW-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.16
Rot. Bonds6

About N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide

N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide (PubChem CID 131905415) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
PubChem CID131905415
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
SMILESCSc1cccc(CN(C(=O)Cn2ccc(=O)c3ccccc32)C(C)C)c1
InChIInChI=1S/C22H24N2O2S/c1-16(2)24(14-17-7-6-8-18(13-17)27-3)22(26)15-23-12-11-21(25)19-9-4-5-10-20(19)23/h4-13,16H,14-15H2,1-3H3
InChIKeyWULWKWZIPODEEW-UHFFFAOYSA-N
XLogP4.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 97314243
N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-yl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99947871
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 52530325
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylpropanamide
CID 131903162
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-benzyl-N-methyl-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100742012
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
N-benzyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30558914
3-amino-N-[(3-methylsulfanylphenyl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 156609275
1-[1-methyl-5-[[(3-methylsulfanylphenyl)methyl-propan-2-ylamino]methyl]pyrrol-3-yl]ethanone
CID 131901298
N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
CID 51095480

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide (CID 131905415) is N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide is CSc1cccc(CN(C(=O)Cn2ccc(=O)c3ccccc32)C(C)C)c1.
What is the InChIKey of N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is WULWKWZIPODEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16(2)24(14-17-7-6-8-18(13-17)27-3)22(26)15-23-12-11-21(25)19-9-4-5-10-20(19)23/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 380.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanylphenyl)methyl]-2-(4-oxoquinolin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 131905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).