(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide

C19H23NO2S — CID 164683364

IUPAC(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
SMILESCC(C)c1ccc(SC[C@@](C)(O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(2)15-9-11-17(12-10-15)23-13-19(3,22)18(21)20-16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyZGDURGCRWALXIU-LJQANCHMSA-N
MW329.47 g/mol
LogP4.29
Rot. Bonds6

About (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide

(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide (PubChem CID 164683364) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
PubChem CID164683364
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
SMILESCC(C)c1ccc(SC[C@@](C)(O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-14(2)15-9-11-17(12-10-15)23-13-19(3,22)18(21)20-16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyZGDURGCRWALXIU-LJQANCHMSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
CID 40544089
N-(4-chloro-3-nitrophenyl)-2-hydroxy-2-methyl-3-phenylsulfanylpropanamide
CID 14064768
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 155556009
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
3-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043695
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 119527331
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
CID 177306140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide (CID 164683364) is (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide is CC(C)c1ccc(SC[C@@](C)(O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
The InChIKey is ZGDURGCRWALXIU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)15-9-11-17(12-10-15)23-13-19(3,22)18(21)20-16-7-5-4-6-8-16/h4-12,14,22H,13H2,1-3H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide?
(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide is sourced from PubChem (CID 164683364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).