(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide

C21H33N3O4S — CID 10693592

IUPAC(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESCCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/m0/s1
InChIKeyHDBHDPIRGZHXCM-AZUAARDMSA-N
MW423.58 g/mol
LogP2.54
Rot. Bonds8

About (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 10693592) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide
PubChem CID10693592
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESCCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/m0/s1
InChIKeyHDBHDPIRGZHXCM-AZUAARDMSA-N
XLogP2.54
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide (CID 10693592) is (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide is CCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is HDBHDPIRGZHXCM-AZUAARDMSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10693592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).