2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide

C20H25NO2S — CID 167804143

IUPAC2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
SMILESCc1ccc(C(C)C(O)C(=O)Nc2ccccc2SC(C)C)cc1
InChIInChI=1S/C20H25NO2S/c1-13(2)24-18-8-6-5-7-17(18)21-20(23)19(22)15(4)16-11-9-14(3)10-12-16/h5-13,15,19,22H,1-4H3,(H,21,23)
InChIKeyKAMIJRZMMHQUEP-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.60
Rot. Bonds6

About 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide

2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide (PubChem CID 167804143) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
PubChem CID167804143
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
SMILESCc1ccc(C(C)C(O)C(=O)Nc2ccccc2SC(C)C)cc1
InChIInChI=1S/C20H25NO2S/c1-13(2)24-18-8-6-5-7-17(18)21-20(23)19(22)15(4)16-11-9-14(3)10-12-16/h5-13,15,19,22H,1-4H3,(H,21,23)
InChIKeyKAMIJRZMMHQUEP-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
CID 97250492
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
CID 71850921
N-(2-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2976562
N-[2-(difluoromethylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 107020226
N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 99132104
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide?
The IUPAC name of 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide (CID 167804143) is 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide?
The canonical SMILES for 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide is Cc1ccc(C(C)C(O)C(=O)Nc2ccccc2SC(C)C)cc1.
What is the InChIKey of 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide?
The InChIKey is KAMIJRZMMHQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-13(2)24-18-8-6-5-7-17(18)21-20(23)19(22)15(4)16-11-9-14(3)10-12-16/h5-13,15,19,22H,1-4H3,(H,21,23).
What are the key properties of 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide?
2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide has a molecular weight of 343.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide is sourced from PubChem (CID 167804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).