2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide

C13H20N2OS — CID 79809132

IUPAC2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-4-13(14,5-2)12(16)15-10-6-8-11(17-3)9-7-10/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyFSSFMDGDBONSRO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide

2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide (PubChem CID 79809132) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
PubChem CID79809132
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H20N2OS/c1-4-13(14,5-2)12(16)15-10-6-8-11(17-3)9-7-10/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyFSSFMDGDBONSRO-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
CID 62488562
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
2-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 79796566
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide (CID 79809132) is 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide is CCC(N)(CC)C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide?
The InChIKey is FSSFMDGDBONSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-13(14,5-2)12(16)15-10-6-8-11(17-3)9-7-10/h6-9H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide?
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide has a molecular weight of 252.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 79809132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).