(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C21H25N3O6S — CID 10599533

IUPAC(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1
InChIKeyMTGNBEKVSCTMSE-OXJNMPFZSA-N
MW447.51 g/mol
LogP1.45
Rot. Bonds6

About (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10599533) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10599533
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1
InChIKeyMTGNBEKVSCTMSE-OXJNMPFZSA-N
XLogP1.45
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10599533) is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NO)[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MTGNBEKVSCTMSE-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H25N3O6S/c25-21(22-26)20-14-16(23-10-12-29-13-11-23)15-24(20)31(27,28)19-8-6-18(7-9-19)30-17-4-2-1-3-5-17/h1-9,16,20,26H,10-15H2,(H,22,25)/t16-,20+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10599533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).