2-amino-N-ethylsulfonyl-3-phenylpropanamide

C11H16N2O3S — CID 103307138

IUPAC2-amino-N-ethylsulfonyl-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-2-17(15,16)13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)
InChIKeyWVMBXZIQGMGGBN-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.02
Rot. Bonds5

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

2-amino-N-ethylsulfonyl-3-phenylpropanamide (PubChem CID 103307138) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-amino-N-ethylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethylsulfonyl-3-phenylpropanamide
PubChem CID103307138
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-amino-N-ethylsulfonyl-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C11H16N2O3S/c1-2-17(15,16)13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)
InChIKeyWVMBXZIQGMGGBN-UHFFFAOYSA-N
XLogP0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
(2S)-2-amino-N-[3-(ethylsulfonylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 119311621
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
CID 103308493
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
N-(1-amino-2-phenylethyl)ethanesulfonamide
CID 69257411
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethylsulfonyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-ethylsulfonyl-3-phenylpropanamide (CID 103307138) is 2-amino-N-ethylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-ethylsulfonyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-ethylsulfonyl-3-phenylpropanamide is CCS(=O)(=O)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-ethylsulfonyl-3-phenylpropanamide?
The InChIKey is WVMBXZIQGMGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-17(15,16)13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-ethylsulfonyl-3-phenylpropanamide?
2-amino-N-ethylsulfonyl-3-phenylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 103307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).