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

C13H20N2O3S — CID 2174614

IUPACN-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-11-6-8-12(9-7-11)15(19(3,17)18)10-13(16)14-5-2/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyUOJLNSXVISAFOS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds6

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

N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 2174614) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID2174614
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-4-11-6-8-12(9-7-11)15(19(3,17)18)10-13(16)14-5-2/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyUOJLNSXVISAFOS-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 2174614) is N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is UOJLNSXVISAFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-11-6-8-12(9-7-11)15(19(3,17)18)10-13(16)14-5-2/h6-9H,4-5,10H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2174614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).