2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide

C13H20N2OS — CID 54862879

IUPAC2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
SMILESCCSc1ccccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C13H20N2OS/c1-4-17-11-8-6-5-7-10(11)15-13(16)12(14)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyYUPAFKKWTUFVOE-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide

2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide (PubChem CID 54862879) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
PubChem CID54862879
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
SMILESCCSc1ccccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C13H20N2OS/c1-4-17-11-8-6-5-7-10(11)15-13(16)12(14)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16)
InChIKeyYUPAFKKWTUFVOE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide (CID 54862879) is 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide is CCSc1ccccc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide?
The InChIKey is YUPAFKKWTUFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-17-11-8-6-5-7-10(11)15-13(16)12(14)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide?
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide has a molecular weight of 252.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide is sourced from PubChem (CID 54862879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).