(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C21H26FN3O8S — CID 129021354

IUPAC(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(-c3ccc(OC[C@H](O)CO)cc3F)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H26FN3O8S/c1-21(19(28)23-30,34(2,31)32)5-6-24-10-14-7-13(9-25(14)20(24)29)17-4-3-16(8-18(17)22)33-12-15(27)11-26/h3-4,7-9,15,26-27,30H,5-6,10-12H2,1-2H3,(H,23,28)/t15-,21-/m1/s1
InChIKeyCHIOONIKMYFXDE-QVKFZJNVSA-N
MW499.52 g/mol
LogP0.51
Rot. Bonds10

About (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 129021354) has the molecular formula C21H26FN3O8S and a molecular weight of 499.52 g/mol. Its IUPAC name is (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID129021354
Molecular FormulaC21H26FN3O8S
Molecular Weight499.52 g/mol
Exact Mass499.14
IUPAC Name(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(-c3ccc(OC[C@H](O)CO)cc3F)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C21H26FN3O8S/c1-21(19(28)23-30,34(2,31)32)5-6-24-10-14-7-13(9-25(14)20(24)29)17-4-3-16(8-18(17)22)33-12-15(27)11-26/h3-4,7-9,15,26-27,30H,5-6,10-12H2,1-2H3,(H,23,28)/t15-,21-/m1/s1
InChIKeyCHIOONIKMYFXDE-QVKFZJNVSA-N
XLogP0.51
TPSA158.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxyethoxy)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 127037549
4-[6-[2-[3-fluoro-4-[(2-hydroxyacetyl)amino]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129021449
(2R)-4-[6-[2-[2-fluoro-4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129021551
(2R)-N-hydroxy-4-[6-[2-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 91884582
(2R)-4-[5-(2-fluoro-4-methoxyphenyl)indazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 118174860
N-hydroxy-4-[6-[2-[4-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 118368905
(2R)-4-[5-fluoro-2-oxo-4-[4-(trideuteriomethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880231
(2R)-4-[6-(2-fluoro-4-methoxyphenyl)-1-oxoisoquinolin-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217838
4-[7-fluoro-6-(2-fluorophenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217702
(2R)-4-[4-[4-(3,4-dihydroxybutoxy)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116142
(2R)-N-hydroxy-4-[6-[2-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 118368767
4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 129021354) is (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCN1Cc2cc(-c3ccc(OC[C@H](O)CO)cc3F)cn2C1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CHIOONIKMYFXDE-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H26FN3O8S/c1-21(19(28)23-30,34(2,31)32)5-6-24-10-14-7-13(9-25(14)20(24)29)17-4-3-16(8-18(17)22)33-12-15(27)11-26/h3-4,7-9,15,26-27,30H,5-6,10-12H2,1-2H3,(H,23,28)/t15-,21-/m1/s1.
What are the key properties of (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 499.52 g/mol, XLogP of 0.51, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[4-[(2R)-2,3-dihydroxypropoxy]-2-fluorophenyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 129021354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).