(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide

C16H18N2O2S — CID 104904568

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21-14-8-4-12(5-9-14)18-16(20)15(17)10-11-2-6-13(19)7-3-11/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyAUQZWOVIZYDEAU-OAHLLOKOSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 104904568) 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-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID104904568
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-21-14-8-4-12(5-9-14)18-16(20)15(17)10-11-2-6-13(19)7-3-11/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyAUQZWOVIZYDEAU-OAHLLOKOSA-N
XLogP2.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 22847699
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide (CID 104904568) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is AUQZWOVIZYDEAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21-14-8-4-12(5-9-14)18-16(20)15(17)10-11-2-6-13(19)7-3-11/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 302.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 104904568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).