2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide

C14H22N2OS — CID 113264230

IUPAC2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
SMILESCCSCC(C)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-18-10-11(2)16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyJAPPFSBTDGDUFC-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.81
Rot. Bonds7

About 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide

2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide (PubChem CID 113264230) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
PubChem CID113264230
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
SMILESCCSCC(C)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-3-18-10-11(2)16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyJAPPFSBTDGDUFC-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide (CID 113264230) is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide is CCSCC(C)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide?
The InChIKey is JAPPFSBTDGDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-18-10-11(2)16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide?
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 113264230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).