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

C16H24N2O4S — CID 2929871

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)18(23(2,20)21)12-16(19)17-11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyGDYAZYRAXFYOOH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.31
Rot. Bonds7

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

2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2929871) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2929871
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)18(23(2,20)21)12-16(19)17-11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyGDYAZYRAXFYOOH-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7367014
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 27136302
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1143002
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 2929871) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CCc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GDYAZYRAXFYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-13-6-8-14(9-7-13)18(23(2,20)21)12-16(19)17-11-15-5-4-10-22-15/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2929871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).