4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide

C13H20N2O2S — CID 114227332

IUPAC4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
SMILESCCOC(CN)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C13H20N2O2S/c1-3-17-10(9-14)8-13(16)15-11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyMGBDVDGMIYTCRT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.10
Rot. Bonds7

About 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide

4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide (PubChem CID 114227332) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
PubChem CID114227332
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide
SMILESCCOC(CN)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C13H20N2O2S/c1-3-17-10(9-14)8-13(16)15-11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyMGBDVDGMIYTCRT-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
4-amino-N-(6-chloropyridazin-3-yl)-3-ethoxybutanamide
CID 114227565
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
CID 114227302
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
CID 114227270
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide (CID 114227332) is 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide is CCOC(CN)CC(=O)Nc1ccccc1SC.
What is the InChIKey of 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide?
The InChIKey is MGBDVDGMIYTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-10(9-14)8-13(16)15-11-6-4-5-7-12(11)18-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide?
4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide has a molecular weight of 268.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-(2-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 114227332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).