(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide

C16H18N2O2S — CID 141363850

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(S)c1
InChIInChI=1S/C16H18N2O2S/c17-15(9-11-4-6-13(19)7-5-11)16(20)18-10-12-2-1-3-14(21)8-12/h1-8,15,19,21H,9-10,17H2,(H,18,20)/t15-/m1/s1
InChIKeyXLJPJKZDZZPSKS-OAHLLOKOSA-N
MW302.40 g/mol
LogP1.87
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide (PubChem CID 141363850) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide
PubChem CID141363850
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(S)c1
InChIInChI=1S/C16H18N2O2S/c17-15(9-11-4-6-13(19)7-5-11)16(20)18-10-12-2-1-3-14(21)8-12/h1-8,15,19,21H,9-10,17H2,(H,18,20)/t15-/m1/s1
InChIKeyXLJPJKZDZZPSKS-OAHLLOKOSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 145458652
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide (CID 141363850) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(S)c1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide?
The InChIKey is XLJPJKZDZZPSKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15(9-11-4-6-13(19)7-5-11)16(20)18-10-12-2-1-3-14(21)8-12/h1-8,15,19,21H,9-10,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide has a molecular weight of 302.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(3-sulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 141363850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).