(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C18H18N2O5S — CID 10738165

IUPAC(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O5S/c1-13-11-17(18(21)19-22)20(12-13)26(23,24)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,17,22H,1,11-12H2,(H,19,21)/t17-/m1/s1
InChIKeyCYBDDZKSRZPTQR-QGZVFWFLSA-N
MW374.42 g/mol
LogP2.30
Rot. Bonds5

About (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10738165) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10738165
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H18N2O5S/c1-13-11-17(18(21)19-22)20(12-13)26(23,24)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,17,22H,1,11-12H2,(H,19,21)/t17-/m1/s1
InChIKeyCYBDDZKSRZPTQR-QGZVFWFLSA-N
XLogP2.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10738165) is (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CYBDDZKSRZPTQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-13-11-17(18(21)19-22)20(12-13)26(23,24)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,17,22H,1,11-12H2,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-methylidene-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).