2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide

C19H23ClN2O3S — CID 113155053

IUPAC2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-21(16-9-7-6-8-10-16)18(23)13-22(26(4,24)25)19-15(3)11-14(2)12-17(19)20/h6-12H,5,13H2,1-4H3
InChIKeyHAZFICDUSZNLCG-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide

2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide (PubChem CID 113155053) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
PubChem CID113155053
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-21(16-9-7-6-8-10-16)18(23)13-22(26(4,24)25)19-15(3)11-14(2)12-17(19)20/h6-12H,5,13H2,1-4H3
InChIKeyHAZFICDUSZNLCG-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113154894
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144326
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
CID 113156576
N-ethyl-2-(2-ethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154140
N-ethyl-2-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113155154
ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 55358303

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide (CID 113155053) is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(c1c(C)cc(C)cc1Cl)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is HAZFICDUSZNLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-21(16-9-7-6-8-10-16)18(23)13-22(26(4,24)25)19-15(3)11-14(2)12-17(19)20/h6-12H,5,13H2,1-4H3.
What are the key properties of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide?
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113155053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).