(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide

C23H29N3O6S — CID 90153889

IUPAC(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H29N3O6S/c27-21(16-24-33(31,32)22-12-10-20(11-13-22)26(29)30)15-18(14-17-6-2-1-3-7-17)23(28)25-19-8-4-5-9-19/h1-3,6-7,10-13,18-19,21,24,27H,4-5,8-9,14-16H2,(H,25,28)/t18-,21+/m1/s1
InChIKeyQPIATQUUHCFUSO-NQIIRXRSSA-N
MW475.57 g/mol
LogP2.54
Rot. Bonds11

About (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide

(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide (PubChem CID 90153889) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
PubChem CID90153889
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H29N3O6S/c27-21(16-24-33(31,32)22-12-10-20(11-13-22)26(29)30)15-18(14-17-6-2-1-3-7-17)23(28)25-19-8-4-5-9-19/h1-3,6-7,10-13,18-19,21,24,27H,4-5,8-9,14-16H2,(H,25,28)/t18-,21+/m1/s1
InChIKeyQPIATQUUHCFUSO-NQIIRXRSSA-N
XLogP2.54
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide?
The IUPAC name of (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide (CID 90153889) is (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide.
What is the SMILES notation for (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide?
The canonical SMILES for (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide is O=C(NC1CCCC1)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide?
The InChIKey is QPIATQUUHCFUSO-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H29N3O6S/c27-21(16-24-33(31,32)22-12-10-20(11-13-22)26(29)30)15-18(14-17-6-2-1-3-7-17)23(28)25-19-8-4-5-9-19/h1-3,6-7,10-13,18-19,21,24,27H,4-5,8-9,14-16H2,(H,25,28)/t18-,21+/m1/s1.
What are the key properties of (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide?
(2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide has a molecular weight of 475.57 g/mol, XLogP of 2.54, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-N-cyclopentyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 90153889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).