2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide

C19H23ClN2O3S — CID 113068793

IUPAC2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-9-18(15(2)12-14)22(26(3,24)25)11-10-21-19(23)13-16-5-7-17(20)8-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQCCZAGPZQTVBOL-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.08
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113068793) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113068793
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
SMILESCc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-9-18(15(2)12-14)22(26(3,24)25)11-10-21-19(23)13-16-5-7-17(20)8-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQCCZAGPZQTVBOL-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113070097
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113068774
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide (CID 113068793) is 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide is Cc1ccc(N(CCNC(=O)Cc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is QCCZAGPZQTVBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-4-9-18(15(2)12-14)22(26(3,24)25)11-10-21-19(23)13-16-5-7-17(20)8-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113068793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).