(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C22H24N2O5S — CID 122624532

IUPAC(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CN(O)C(=O)c2ccc3c(c2)CC[C@]2(CCNC2=O)C3)cc1
InChIInChI=1S/C22H24N2O5S/c1-30(28,29)19-6-2-15(3-7-19)14-24(27)20(25)17-4-5-18-13-22(9-8-16(18)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyUASSIZPZRHBICZ-QFIPXVFZSA-N
MW428.51 g/mol
LogP2.12
Rot. Bonds4

About (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122624532) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122624532
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CN(O)C(=O)c2ccc3c(c2)CC[C@]2(CCNC2=O)C3)cc1
InChIInChI=1S/C22H24N2O5S/c1-30(28,29)19-6-2-15(3-7-19)14-24(27)20(25)17-4-5-18-13-22(9-8-16(18)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyUASSIZPZRHBICZ-QFIPXVFZSA-N
XLogP2.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122624532) is (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is CS(=O)(=O)c1ccc(CN(O)C(=O)c2ccc3c(c2)CC[C@]2(CCNC2=O)C3)cc1.
What is the InChIKey of (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is UASSIZPZRHBICZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-30(28,29)19-6-2-15(3-7-19)14-24(27)20(25)17-4-5-18-13-22(9-8-16(18)12-17)10-11-23-21(22)26/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).