N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide

C17H19NO2S — CID 103944973

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-13-16(14-7-3-1-4-8-14)18-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
InChIKeyIKCBZJCZGNWXCU-MRXNPFEDSA-N
MW301.41 g/mol
LogP3.02
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide (PubChem CID 103944973) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
PubChem CID103944973
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H19NO2S/c19-13-16(14-7-3-1-4-8-14)18-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
InChIKeyIKCBZJCZGNWXCU-MRXNPFEDSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylsulfanylpropyl)urea
CID 110005811
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide (CID 103944973) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide?
The InChIKey is IKCBZJCZGNWXCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-13-16(14-7-3-1-4-8-14)18-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 103944973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).