N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide

C14H22N2O3S — CID 113147556

IUPACN-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-13-8-6-12(5-2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyUYBFJRYPYOHRAD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds7

About N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide

N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147556) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147556
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-13-8-6-12(5-2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyUYBFJRYPYOHRAD-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
methyl 3-[[2-[methylsulfonyl(propyl)amino]acetyl]amino]benzoate
CID 113147599
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113151399
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147556) is N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(CC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is UYBFJRYPYOHRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-13-8-6-12(5-2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).