(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide

C20H20N2O5S — CID 10164671

IUPAC(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN1CCC[C@]1(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-14-22-15-6-13-20(22,19(23)21-24)28(25,26)18-11-9-17(10-12-18)27-16-7-4-3-5-8-16/h1,3-5,7-12,24H,6,13-15H2,(H,21,23)/t20-/m1/s1
InChIKeyJFVHPERRFHGCTC-HXUWFJFHSA-N
MW400.46 g/mol
LogP2.18
Rot. Bonds6

About (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide

(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide (PubChem CID 10164671) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide
PubChem CID10164671
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN1CCC[C@]1(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-14-22-15-6-13-20(22,19(23)21-24)28(25,26)18-11-9-17(10-12-18)27-16-7-4-3-5-8-16/h1,3-5,7-12,24H,6,13-15H2,(H,21,23)/t20-/m1/s1
InChIKeyJFVHPERRFHGCTC-HXUWFJFHSA-N
XLogP2.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 142640881
N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492
4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid;hydrochloride
CID 11719052
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide
CID 22485255
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
4-[4-(3,4-dimethoxyphenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide;hydrochloride
CID 131723836
4-(hydroxycarbamoyl)-4-[2-(4-phenoxyphenyl)sulfonylethyl]piperidine-1-carboxylic acid
CID 18406831
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
1-[4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidin-4-yl]ethanone
CID 59966526
(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide
CID 20683088
2-[4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-1-prop-2-ynylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
CID 139932122
1-acetyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 11711856

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide (CID 10164671) is (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide is C#CCN1CCC[C@]1(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide?
The InChIKey is JFVHPERRFHGCTC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-2-14-22-15-6-13-20(22,19(23)21-24)28(25,26)18-11-9-17(10-12-18)27-16-7-4-3-5-8-16/h1,3-5,7-12,24H,6,13-15H2,(H,21,23)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide?
(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10164671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).