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

C24H27N3O6S — CID 118368859

IUPAC(2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#Cc3ccc(C4(CO)CC4)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H27N3O6S/c1-23(21(29)25-31,34(2,32)33)11-12-26-15-20-13-18(14-27(20)22(26)30)4-3-17-5-7-19(8-6-17)24(16-28)9-10-24/h5-8,13-14,28,31H,9-12,15-16H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyBVYXOWCVBADIAQ-HSZRJFAPSA-N
MW485.56 g/mol
LogP1.39
Rot. Bonds7

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

(2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 118368859) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID118368859
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name(2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCN1Cc2cc(C#Cc3ccc(C4(CO)CC4)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C24H27N3O6S/c1-23(21(29)25-31,34(2,32)33)11-12-26-15-20-13-18(14-27(20)22(26)30)4-3-17-5-7-19(8-6-17)24(16-28)9-10-24/h5-8,13-14,28,31H,9-12,15-16H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyBVYXOWCVBADIAQ-HSZRJFAPSA-N
XLogP1.39
TPSA128.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide (CID 118368859) is (2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCN1Cc2cc(C#Cc3ccc(C4(CO)CC4)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is BVYXOWCVBADIAQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-23(21(29)25-31,34(2,32)33)11-12-26-15-20-13-18(14-27(20)22(26)30)4-3-17-5-7-19(8-6-17)24(16-28)9-10-24/h5-8,13-14,28,31H,9-12,15-16H2,1-2H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[6-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 485.56 g/mol, XLogP of 1.39, 7 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-[1-(hydroxymethyl)cyclopropyl]phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 118368859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).