N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

C20H21N3O3S — CID 113156678

IUPACN-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H21N3O3S/c1-14-9-10-17(12-15(14)2)22-19(24)13-23(27(3,25)26)18-8-4-6-16-7-5-11-21-20(16)18/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyXXYLRUIZSGIRRG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.26
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (PubChem CID 113156678) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
PubChem CID113156678
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H21N3O3S/c1-14-9-10-17(12-15(14)2)22-19(24)13-23(27(3,25)26)18-8-4-6-16-7-5-11-21-20(16)18/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyXXYLRUIZSGIRRG-UHFFFAOYSA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (CID 113156678) is N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is Cc1ccc(NC(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The InChIKey is XXYLRUIZSGIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-9-10-17(12-15(14)2)22-19(24)13-23(27(3,25)26)18-8-4-6-16-7-5-11-21-20(16)18/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is sourced from PubChem (CID 113156678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).