N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide

C23H28FNO6S — CID 123692932

IUPACN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide
SMILESCCCCC(=O)c1ccc(CC(=O)NC(CF)C(O)c2ccc(S(C)(=O)=O)cc2)cc1O
InChIInChI=1S/C23H28FNO6S/c1-3-4-5-20(26)18-11-6-15(12-21(18)27)13-22(28)25-19(14-24)23(29)16-7-9-17(10-8-16)32(2,30)31/h6-12,19,23,27,29H,3-5,13-14H2,1-2H3,(H,25,28)
InChIKeyZCGONDWLIWBZHX-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.90
Rot. Bonds11

About N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide

N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide (PubChem CID 123692932) has the molecular formula C23H28FNO6S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide
PubChem CID123692932
Molecular FormulaC23H28FNO6S
Molecular Weight465.54 g/mol
Exact Mass465.16
IUPAC NameN-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide
SMILESCCCCC(=O)c1ccc(CC(=O)NC(CF)C(O)c2ccc(S(C)(=O)=O)cc2)cc1O
InChIInChI=1S/C23H28FNO6S/c1-3-4-5-20(26)18-11-6-15(12-21(18)27)13-22(28)25-19(14-24)23(29)16-7-9-17(10-8-16)32(2,30)31/h6-12,19,23,27,29H,3-5,13-14H2,1-2H3,(H,25,28)
InChIKeyZCGONDWLIWBZHX-UHFFFAOYSA-N
XLogP2.90
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanamide
CID 123233229
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
CID 14597706
[(1S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]carbamic acid
CID 175773285
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-4-[hydroxy(dimethyl)silyl]butanamide
CID 123867459
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanethioamide
CID 19422981
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-3-propan-2-yloxypropanamide
CID 19857342
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-3-hydroxy-4-(hydroxymethyl)benzamide
CID 123188805
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide;hexadecanoic acid
CID 70470483
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263
(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide
CID 25155085
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
CID 59667462

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide?
The IUPAC name of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide (CID 123692932) is N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide.
What is the SMILES notation for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide?
The canonical SMILES for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide is CCCCC(=O)c1ccc(CC(=O)NC(CF)C(O)c2ccc(S(C)(=O)=O)cc2)cc1O.
What is the InChIKey of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide?
The InChIKey is ZCGONDWLIWBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO6S/c1-3-4-5-20(26)18-11-6-15(12-21(18)27)13-22(28)25-19(14-24)23(29)16-7-9-17(10-8-16)32(2,30)31/h6-12,19,23,27,29H,3-5,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide?
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide has a molecular weight of 465.54 g/mol, XLogP of 2.90, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-(3-hydroxy-4-pentanoylphenyl)acetamide is sourced from PubChem (CID 123692932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).