2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C18H20Cl2N2O3S — CID 126413987

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-13-7-5-6-12(2)18(13)21-17(23)11-22(26(3,24)25)16-9-8-14(19)10-15(16)20/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyJBWISYSOADRXQN-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.27
Rot. Bonds6

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 126413987) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID126413987
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-4-13-7-5-6-12(2)18(13)21-17(23)11-22(26(3,24)25)16-9-8-14(19)10-15(16)20/h5-10H,4,11H2,1-3H3,(H,21,23)
InChIKeyJBWISYSOADRXQN-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126144522
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
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-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 126413987) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is JBWISYSOADRXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-4-13-7-5-6-12(2)18(13)21-17(23)11-22(26(3,24)25)16-9-8-14(19)10-15(16)20/h5-10H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 415.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 126413987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).