N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

C22H27N3O7S — CID 129021443

IUPACN-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCN1Cc2cc(C#CC#CCC3(O)CC(CO)C3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H27N3O7S/c1-21(19(27)23-30,33(2,31)32)8-9-24-14-18-10-16(13-25(18)20(24)28)6-4-3-5-7-22(29)11-17(12-22)15-26/h10,13,17,26,29-30H,7-9,11-12,14-15H2,1-2H3,(H,23,27)
InChIKeyPYBJJZHNHNRZHR-UHFFFAOYSA-N
MW477.54 g/mol
LogP-0.15
Rot. Bonds7

About N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 129021443) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID129021443
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC NameN-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCN1Cc2cc(C#CC#CCC3(O)CC(CO)C3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H27N3O7S/c1-21(19(27)23-30,33(2,31)32)8-9-24-14-18-10-16(13-25(18)20(24)28)6-4-3-5-7-22(29)11-17(12-22)15-26/h10,13,17,26,29-30H,7-9,11-12,14-15H2,1-2H3,(H,23,27)
InChIKeyPYBJJZHNHNRZHR-UHFFFAOYSA-N
XLogP-0.15
TPSA149.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[6-[4-(3-hydroxyoxetan-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129021365
(2R)-4-[6-(5-cyclobutyl-6-hydroxyhexa-1,3-diynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 118368790
(2R)-N-hydroxy-4-[6-[4-(4-hydroxyoxan-4-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 118368868
(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylpiperidin-4-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide
CID 135315374
(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
4-[6-[4-[1-(deuteriomethyl)azetidin-3-yl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 135315772
[(1R,2R)-1-fluoro-2-[4-[2-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-6-yl]buta-1,3-diynyl]cyclopropyl]methyl dihydrogen phosphate
CID 135306917
[1-[4-[2-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-6-yl]buta-1,3-diynyl]cyclopropyl]methyl 4-methylpiperazine-1-carboxylate
CID 135315527
(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-[4-(4-aminopiperidin-1-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129021406
N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[4-[(1R,2R)-2-(morpholin-4-ylmethyl)cyclopropyl]buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide
CID 135315423
4-[6-[2-[4-(3-aminooxetan-3-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129021387

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (CID 129021443) is N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is CC(CCN1Cc2cc(C#CC#CCC3(O)CC(CO)C3)cn2C1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is PYBJJZHNHNRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-21(19(27)23-30,33(2,31)32)8-9-24-14-18-10-16(13-25(18)20(24)28)6-4-3-5-7-22(29)11-17(12-22)15-26/h10,13,17,26,29-30H,7-9,11-12,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 477.54 g/mol, XLogP of -0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[6-[5-[1-hydroxy-3-(hydroxymethyl)cyclobutyl]penta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 129021443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).