(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

C20H22N2O4S — CID 10385490

IUPAC(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(21-24)19-13-16-7-4-8-18(16)22(19)27(25,26)17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18-19,24H,4,7-8,13H2,(H,21,23)/t16-,18-,19-/m1/s1
InChIKeyUWQJWKNRLUXTGP-BHIYHBOVSA-N
MW386.47 g/mol
LogP2.79
Rot. Bonds4

About (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide

(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (PubChem CID 10385490) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
PubChem CID10385490
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(21-24)19-13-16-7-4-8-18(16)22(19)27(25,26)17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18-19,24H,4,7-8,13H2,(H,21,23)/t16-,18-,19-/m1/s1
InChIKeyUWQJWKNRLUXTGP-BHIYHBOVSA-N
XLogP2.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

CID 162677454
CID 162677454
CID 90656558
CID 90656558
CID 127037442
CID 127037442
CID 162658578
CID 162658578
CID 57391413
CID 57391413
CID 57403620
CID 57403620
CID 162657943
CID 162657943
CID 162659869
CID 162659869
CID 162676719
CID 162676719
CID 17409519
CID 17409519
CID 58751630
CID 58751630
CID 66590207
CID 66590207

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide (CID 10385490) is (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is O=C(NO)[C@H]1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is UWQJWKNRLUXTGP-BHIYHBOVSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-20(21-24)19-13-16-7-4-8-18(16)22(19)27(25,26)17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-3,5-6,9-12,16,18-19,24H,4,7-8,13H2,(H,21,23)/t16-,18-,19-/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 10385490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).