N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide

C22H25N3O4S — CID 46634659

IUPACN-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C22H25N3O4S/c1-4-14-25(15-21(26)24-18-9-5-6-10-19(18)29-3)30(27,28)20-12-11-16(2)22-17(20)8-7-13-23-22/h5-13H,4,14-15H2,1-3H3,(H,24,26)
InChIKeyIOGCNHIXLAVMCJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.59
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide

N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide (PubChem CID 46634659) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
PubChem CID46634659
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C22H25N3O4S/c1-4-14-25(15-21(26)24-18-9-5-6-10-19(18)29-3)30(27,28)20-12-11-16(2)22-17(20)8-7-13-23-22/h5-13H,4,14-15H2,1-3H3,(H,24,26)
InChIKeyIOGCNHIXLAVMCJ-UHFFFAOYSA-N
XLogP3.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide 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

ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
CID 52708492
2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 30329804
dimethyl 2-[[2-(2-methylanilino)-2-oxoethyl]-propylsulfamoyl]benzene-1,4-dicarboxylate
CID 55352515
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 52746584
2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18190586
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38277483

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide (CID 46634659) is N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide?
The InChIKey is IOGCNHIXLAVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-4-14-25(15-21(26)24-18-9-5-6-10-19(18)29-3)30(27,28)20-12-11-16(2)22-17(20)8-7-13-23-22/h5-13H,4,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide?
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide has a molecular weight of 427.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 46634659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).