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

C23H27N3O6S — CID 118368787

IUPAC(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)c1ccc(C#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc1
InChIInChI=1S/C23H27N3O6S/c1-22(2,29)18-9-7-16(8-10-18)5-6-17-13-19-15-25(21(28)26(19)14-17)12-11-23(3,20(27)24-30)33(4,31)32/h7-10,13-14,29-30H,11-12,15H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyMXGXPNRYVORODU-HSZRJFAPSA-N
MW473.55 g/mol
LogP1.60
Rot. Bonds6

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

(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 118368787) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID118368787
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)c1ccc(C#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc1
InChIInChI=1S/C23H27N3O6S/c1-22(2,29)18-9-7-16(8-10-18)5-6-17-13-19-15-25(21(28)26(19)14-17)12-11-23(3,20(27)24-30)33(4,31)32/h7-10,13-14,29-30H,11-12,15H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyMXGXPNRYVORODU-HSZRJFAPSA-N
XLogP1.60
TPSA128.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.60
H-Bond Donors ≤ 53
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'}

Analyze (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (CID 118368787) is (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is CC(C)(O)c1ccc(C#Cc2cc3n(c2)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc1.
What is the InChIKey of (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is MXGXPNRYVORODU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-22(2,29)18-9-7-16(8-10-18)5-6-17-13-19-15-25(21(28)26(19)14-17)12-11-23(3,20(27)24-30)33(4,31)32/h7-10,13-14,29-30H,11-12,15H2,1-4H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 473.55 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[6-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 118368787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).