N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

C21H23N3O3S — CID 113156685

IUPACN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C21H23N3O3S/c1-4-16-9-5-8-15(2)20(16)23-19(25)14-24(28(3,26)27)18-12-6-10-17-11-7-13-22-21(17)18/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyZFWJQEWRQYSOAC-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.51
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (PubChem CID 113156685) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
PubChem CID113156685
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C21H23N3O3S/c1-4-16-9-5-8-15(2)20(16)23-19(25)14-24(28(3,26)27)18-12-6-10-17-11-7-13-22-21(17)18/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyZFWJQEWRQYSOAC-UHFFFAOYSA-N
XLogP3.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508262
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (CID 113156685) is N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is CCc1cccc(C)c1NC(=O)CN(c1cccc2cccnc12)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The InChIKey is ZFWJQEWRQYSOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-16-9-5-8-15(2)20(16)23-19(25)14-24(28(3,26)27)18-12-6-10-17-11-7-13-22-21(17)18/h5-13H,4,14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is sourced from PubChem (CID 113156685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).