2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide

C21H28N2O4S — CID 46770349

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-27-19-10-8-18(9-11-19)17(4)22-21(24)14-23(28(5,25)26)20-12-7-15(2)13-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24)
InChIKeyXERRIDIKXJWMDA-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.35
Rot. Bonds8

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 46770349) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID46770349
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-27-19-10-8-18(9-11-19)17(4)22-21(24)14-23(28(5,25)26)20-12-7-15(2)13-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24)
InChIKeyXERRIDIKXJWMDA-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 43875579
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43875485
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 43895647
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 92674141
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084919
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide (CID 46770349) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc(C(C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is XERRIDIKXJWMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-27-19-10-8-18(9-11-19)17(4)22-21(24)14-23(28(5,25)26)20-12-7-15(2)13-16(20)3/h7-13,17H,6,14H2,1-5H3,(H,22,24).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46770349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).