N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide

C18H22N2O2S — CID 44760748

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-2-11-23-18-16(9-6-10-19-18)17(22)20-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyJMRRFBRMSKTXJW-HNNXBMFYSA-N
MW330.45 g/mol
LogP2.92
Rot. Bonds8

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 44760748) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide
PubChem CID44760748
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-2-11-23-18-16(9-6-10-19-18)17(22)20-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyJMRRFBRMSKTXJW-HNNXBMFYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
CID 15015989
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide (CID 44760748) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is JMRRFBRMSKTXJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-11-23-18-16(9-6-10-19-18)17(22)20-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 44760748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).