2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide

C21H20N2O5S — CID 9115384

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide
SMILESCOc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H20N2O5S/c1-14(24)16-8-9-19(28-2)17(11-16)12-29(26,27)13-20(25)23-18-7-3-5-15-6-4-10-22-21(15)18/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyWYYBZXACLPOAPX-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.00
Rot. Bonds7

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide

2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide (PubChem CID 9115384) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide
PubChem CID9115384
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide
SMILESCOc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H20N2O5S/c1-14(24)16-8-9-19(28-2)17(11-16)12-29(26,27)13-20(25)23-18-7-3-5-15-6-4-10-22-21(15)18/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyWYYBZXACLPOAPX-UHFFFAOYSA-N
XLogP3.00
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
2-[(3-acetylphenyl)carbamoylamino]-N-quinolin-8-ylacetamide
CID 52842232
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide (CID 9115384) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide is COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide?
The InChIKey is WYYBZXACLPOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-14(24)16-8-9-19(28-2)17(11-16)12-29(26,27)13-20(25)23-18-7-3-5-15-6-4-10-22-21(15)18/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide has a molecular weight of 412.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 9115384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).