N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide

C19H24N2O3S — CID 113153665

IUPACN-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-4-15-10-9-11-16(5-2)19(15)20-18(22)14-21(25(3,23)24)17-12-7-6-8-13-17/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyWDVQJDMXTSRNGW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.22
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 113153665) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID113153665
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-4-15-10-9-11-16(5-2)19(15)20-18(22)14-21(25(3,23)24)17-12-7-6-8-13-17/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyWDVQJDMXTSRNGW-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 113153665) is N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is WDVQJDMXTSRNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-15-10-9-11-16(5-2)19(15)20-18(22)14-21(25(3,23)24)17-12-7-6-8-13-17/h6-13H,4-5,14H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).