(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide

C17H27FN2O4S — CID 173243874

IUPAC(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
SMILESCNS(=O)(=O)C(CCC(C)(F)C(N)=O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C17H27FN2O4S/c1-17(18,16(19)22)11-10-15(25(23,24)20-2)12-14(21)9-8-13-6-4-3-5-7-13/h3-7,14-15,20-21H,8-12H2,1-2H3,(H2,19,22)/t14-,15?,17?/m0/s1
InChIKeyNIBLYYFCJPFQKF-UQPPLGOBSA-N
MW374.48 g/mol
LogP1.28
Rot. Bonds11

About (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide

(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide (PubChem CID 173243874) has the molecular formula C17H27FN2O4S and a molecular weight of 374.48 g/mol. Its IUPAC name is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide.

Molecular Properties

Compound Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
PubChem CID173243874
Molecular FormulaC17H27FN2O4S
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
SMILESCNS(=O)(=O)C(CCC(C)(F)C(N)=O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C17H27FN2O4S/c1-17(18,16(19)22)11-10-15(25(23,24)20-2)12-14(21)9-8-13-6-4-3-5-7-13/h3-7,14-15,20-21H,8-12H2,1-2H3,(H2,19,22)/t14-,15?,17?/m0/s1
InChIKeyNIBLYYFCJPFQKF-UQPPLGOBSA-N
XLogP1.28
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide
CID 20577858
(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide
CID 70013537
(5R)-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methyl-N'-(2-thiophen-2-ylethyl)hexanediamide
CID 21345602
(5R)-N'-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 173120771
(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 21345551
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide
CID 173201456
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
5-hydroxy-7-phenylheptane-3-sulfinic acid
CID 174656359
(5R)-5-[(2S)-4-(3-fluorophenyl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide
CID 10315202
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide?
The IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide (CID 173243874) is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide.
What is the SMILES notation for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide?
The canonical SMILES for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide is CNS(=O)(=O)C(CCC(C)(F)C(N)=O)C[C@@H](O)CCc1ccccc1.
What is the InChIKey of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide?
The InChIKey is NIBLYYFCJPFQKF-UQPPLGOBSA-N. The full InChI is InChI=1S/C17H27FN2O4S/c1-17(18,16(19)22)11-10-15(25(23,24)20-2)12-14(21)9-8-13-6-4-3-5-7-13/h3-7,14-15,20-21H,8-12H2,1-2H3,(H2,19,22)/t14-,15?,17?/m0/s1.
What are the key properties of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide?
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide has a molecular weight of 374.48 g/mol, XLogP of 1.28, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide is sourced from PubChem (CID 173243874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).