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

C18H27N3O6S — CID 10047373

IUPAC(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyVBPVZEMPZISXMF-WMLDXEAASA-N
MW413.50 g/mol
LogP0.44
Rot. Bonds7

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

(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10047373) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10047373
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC Name(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/m0/s1
InChIKeyVBPVZEMPZISXMF-WMLDXEAASA-N
XLogP0.44
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.44
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-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10047373) is (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is CCCOc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is VBPVZEMPZISXMF-WMLDXEAASA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-morpholin-4-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 0.44, 7 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-propoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10047373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).