2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide

C17H20N2O3S — CID 951908

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-14-9-11-16(12-10-14)19(23(2,21)22)13-17(20)18-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyBTAQLQFVADYNSZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 951908) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID951908
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-14-9-11-16(12-10-14)19(23(2,21)22)13-17(20)18-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyBTAQLQFVADYNSZ-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 92680973
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide (CID 951908) is 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide is CCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is BTAQLQFVADYNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-14-9-11-16(12-10-14)19(23(2,21)22)13-17(20)18-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 951908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).