3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide

C12H18N2O3S — CID 103307056

IUPAC3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-3-18(16,17)14-12(15)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3,(H,14,15)
InChIKeyFPUNTTKTZRSMML-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide

3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide (PubChem CID 103307056) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
PubChem CID103307056
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-3-18(16,17)14-12(15)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3,(H,14,15)
InChIKeyFPUNTTKTZRSMML-UHFFFAOYSA-N
XLogP0.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119808558
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide (CID 103307056) is 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide is CCS(=O)(=O)NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide?
The InChIKey is FPUNTTKTZRSMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-18(16,17)14-12(15)9(2)11(13)10-7-5-4-6-8-10/h4-9,11H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide?
3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 103307056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).