(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide

C25H25N3O6S — CID 10767542

IUPAC(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-20(15-23(28)25(30)27-31)26-24(29)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,20,23,31H,15-16H2,1H3,(H,26,29)(H,27,30)/t20-,23+/m0/s1
InChIKeyHCQXIXVRBXTURQ-NZQKXSOJSA-N
MW495.56 g/mol
LogP2.43
Rot. Bonds7

About (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide (PubChem CID 10767542) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide
PubChem CID10767542
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-20(15-23(28)25(30)27-31)26-24(29)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,20,23,31H,15-16H2,1H3,(H,26,29)(H,27,30)/t20-,23+/m0/s1
InChIKeyHCQXIXVRBXTURQ-NZQKXSOJSA-N
XLogP2.43
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.43
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-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide (CID 10767542) is (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is HCQXIXVRBXTURQ-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-20(15-23(28)25(30)27-31)26-24(29)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,20,23,31H,15-16H2,1H3,(H,26,29)(H,27,30)/t20-,23+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 2.43, 7 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-methoxyphenyl)sulfonyl-4-[(4-phenylbenzoyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).