N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide

C16H17FN2O2S — CID 97237255

IUPACN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccncc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c1-11(16(21)12-2-4-13(17)5-3-12)19-15(20)10-22-14-6-8-18-9-7-14/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t11-,16-/m0/s1
InChIKeyCEESVTHEBBSTKK-ZBEGNZNMSA-N
MW320.39 g/mol
LogP2.55
Rot. Bonds6

About N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide

N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 97237255) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID97237255
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ccncc1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c1-11(16(21)12-2-4-13(17)5-3-12)19-15(20)10-22-14-6-8-18-9-7-14/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t11-,16-/m0/s1
InChIKeyCEESVTHEBBSTKK-ZBEGNZNMSA-N
XLogP2.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sirpefenicol
CID 86300698
tert-butyl N-[(1S,2S)-1-benzyl-2-hydroxy-3-(2-pyridylsulfanyl)propyl]carbamate
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CID 162396830
1-[2-[(4-Fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone
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N-[1-(2,6-difluorophenyl)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 121563971
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]acetamide
CID 9927258
N-[1-(2-fluoro-4-pyridinyl)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 20743453
2-[4-(6-Fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol
CID 25115472
1-(2,4-Difluorophenyl)-2-(4-pyridin-3-ylbutan-2-ylamino)ethanol
CID 25115700
1-(2,4-Difluorophenyl)-2-(4-pyridin-4-ylbutan-2-ylamino)ethanol
CID 25115701
1-(2,4-Difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol
CID 25115929
(1S)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]-1-phenylethanol
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide (CID 97237255) is N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide is C[C@H](NC(=O)CSc1ccncc1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is CEESVTHEBBSTKK-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11(16(21)12-2-4-13(17)5-3-12)19-15(20)10-22-14-6-8-18-9-7-14/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t11-,16-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide?
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 320.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 97237255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).