3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

C16H26N2O4S — CID 113144856

IUPAC3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-22-15-8-6-14(7-9-15)18(23(4,20)21)11-10-16(19)17-12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyLTSKEMZABZGNKW-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.01
Rot. Bonds9

About 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113144856) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
PubChem CID113144856
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S/c1-5-22-15-8-6-14(7-9-15)18(23(4,20)21)11-10-16(19)17-12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyLTSKEMZABZGNKW-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145877
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
N-benzyl-4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132730452
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (CID 113144856) is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide is CCOc1ccc(N(CCC(=O)NCC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is LTSKEMZABZGNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-22-15-8-6-14(7-9-15)18(23(4,20)21)11-10-16(19)17-12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 342.46 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113144856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).