(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide

C19H24N2OS — CID 124683704

IUPAC(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
SMILESCCSc1ccc([C@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-19(22)18(13-20)16-7-5-4-6-8-16/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyDZUNIDTVRMZRCV-KBXCAEBGSA-N
MW328.48 g/mol
LogP3.72
Rot. Bonds7

About (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide

(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide (PubChem CID 124683704) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
PubChem CID124683704
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide
SMILESCCSc1ccc([C@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-19(22)18(13-20)16-7-5-4-6-8-16/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyDZUNIDTVRMZRCV-KBXCAEBGSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
(2S)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124689942
(2R)-3-amino-N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-phenylpropanamide
CID 124695556
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119694035
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide (CID 124683704) is (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide is CCSc1ccc([C@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1.
What is the InChIKey of (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide?
The InChIKey is DZUNIDTVRMZRCV-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-23-17-11-9-15(10-12-17)14(2)21-19(22)18(13-20)16-7-5-4-6-8-16/h4-12,14,18H,3,13,20H2,1-2H3,(H,21,22)/t14-,18+/m0/s1.
What are the key properties of (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide?
(2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 124683704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).