(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide

C15H21N3O7S — CID 10524260

IUPAC(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
InChIKeyOECFBMNWNGPPFC-RQNDZEIBSA-N
MW387.41 g/mol
LogP-0.02
Rot. Bonds8

About (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide

(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide (PubChem CID 10524260) has the molecular formula C15H21N3O7S and a molecular weight of 387.41 g/mol. Its IUPAC name is (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide
PubChem CID10524260
Molecular FormulaC15H21N3O7S
Molecular Weight387.41 g/mol
Exact Mass387.11
IUPAC Name(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide
SMILESCOCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1
InChIKeyOECFBMNWNGPPFC-RQNDZEIBSA-N
XLogP-0.02
TPSA126.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide (CID 10524260) is (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide is COCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide?
The InChIKey is OECFBMNWNGPPFC-RQNDZEIBSA-N. The full InChI is InChI=1S/C15H21N3O7S/c1-23-7-8-25-12-3-5-13(6-4-12)26(21,22)18-10-11(17-24-2)9-14(18)15(19)16-20/h3-6,14,20H,7-10H2,1-2H3,(H,16,19)/b17-11-/t14-/m1/s1.
What are the key properties of (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide?
(2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-N-hydroxy-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-methoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 10524260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).