(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide

C29H27N3O6S2 — CID 162658578

IUPAC(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H27N3O6S2/c33-29(30-34)28-19-25(31-39(35,36)26-15-11-23(12-16-26)21-7-3-1-4-8-21)20-32(28)40(37,38)27-17-13-24(14-18-27)22-9-5-2-6-10-22/h1-18,25,28,31,34H,19-20H2,(H,30,33)/t25-,28+/m0/s1
InChIKeyQAOSFIACYHTRMI-LBNVMWSVSA-N
MW577.68 g/mol
LogP3.64
Rot. Bonds8

About (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide (PubChem CID 162658578) has the molecular formula C29H27N3O6S2 and a molecular weight of 577.68 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
PubChem CID162658578
Molecular FormulaC29H27N3O6S2
Molecular Weight577.68 g/mol
Exact Mass577.13
IUPAC Name(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H27N3O6S2/c33-29(30-34)28-19-25(31-39(35,36)26-15-11-23(12-16-26)21-7-3-1-4-8-21)20-32(28)40(37,38)27-17-13-24(14-18-27)22-9-5-2-6-10-22/h1-18,25,28,31,34H,19-20H2,(H,30,33)/t25-,28+/m0/s1
InChIKeyQAOSFIACYHTRMI-LBNVMWSVSA-N
XLogP3.64
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.68
LogP ≤ 53.64
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide (CID 162658578) is (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide is O=C(NO)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
The InChIKey is QAOSFIACYHTRMI-LBNVMWSVSA-N. The full InChI is InChI=1S/C29H27N3O6S2/c33-29(30-34)28-19-25(31-39(35,36)26-15-11-23(12-16-26)21-7-3-1-4-8-21)20-32(28)40(37,38)27-17-13-24(14-18-27)22-9-5-2-6-10-22/h1-18,25,28,31,34H,19-20H2,(H,30,33)/t25-,28+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide has a molecular weight of 577.68 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-phenylphenyl)sulfonyl-4-[(4-phenylphenyl)sulfonylamino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162658578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).