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

C25H29N5O7S — CID 118368905

About 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

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 (PubChem CID 118368905) has the molecular formula C25H29N5O7S and a molecular weight of 543.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 118368905
• Molecular Formula: C25H29N5O7S
• Molecular Weight: 543.60 g/mol
• Exact Mass: 543.18
• IUPAC Name: 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
• SMILES: CC(CCN1Cc2cc(C#Cc3ccc(N4CCN(CCO)C4=O)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
• InChI: InChI=1S/C25H29N5O7S/c1-25(22(32)26-35,38(2,36)37)9-10-28-17-21-15-19(16-30(21)24(28)34)4-3-18-5-7-20(8-6-18)29-12-11-27(13-14-31)23(29)33/h5-8,15-16,31,35H,9-14,17H2,1-2H3,(H,26,32)
• InChIKey: JRGZKHZDDOGZDV-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 152.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.60
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(CCN1Cc2cc(C#Cc3ccc(N4CCN(CCO)C4=O)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O.

What is the InChIKey of 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?

The InChIKey is JRGZKHZDDOGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O7S/c1-25(22(32)26-35,38(2,36)37)9-10-28-17-21-15-19(16-30(21)24(28)34)4-3-18-5-7-20(8-6-18)29-12-11-27(13-14-31)23(29)33/h5-8,15-16,31,35H,9-14,17H2,1-2H3,(H,26,32).

What are the key properties of 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?

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 has a molecular weight of 543.60 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 118368905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).