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

C20H24N4O5S — CID 126651349

IUPAC(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide
SMILESCN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)C1
InChIInChI=1S/C20H24N4O5S/c1-20(18(25)21-27,30(3,28)29)8-9-23-14-17-10-15(13-24(17)19(23)26)6-4-5-7-16-11-22(2)12-16/h10,13,16,27H,8-9,11-12,14H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyZGSSRMCYVIDZBN-HXUWFJFHSA-N
MW432.50 g/mol
LogP-0.11
Rot. Bonds5

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

(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide (PubChem CID 126651349) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide
PubChem CID126651349
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide
SMILESCN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)C1
InChIInChI=1S/C20H24N4O5S/c1-20(18(25)21-27,30(3,28)29)8-9-23-14-17-10-15(13-24(17)19(23)26)6-4-5-7-16-11-22(2)12-16/h10,13,16,27H,8-9,11-12,14H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyZGSSRMCYVIDZBN-HXUWFJFHSA-N
XLogP-0.11
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide (CID 126651349) is (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide is CN1CC(C#CC#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)C1.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide?
The InChIKey is ZGSSRMCYVIDZBN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-20(18(25)21-27,30(3,28)29)8-9-23-14-17-10-15(13-24(17)19(23)26)6-4-5-7-16-11-22(2)12-16/h10,13,16,27H,8-9,11-12,14H2,1-3H3,(H,21,25)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide has a molecular weight of 432.50 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-4-[6-[4-(1-methylazetidin-3-yl)buta-1,3-diynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 126651349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).