(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane

C53H58N4O9S3 — CID 157454693

IUPAC(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
SMILESCOC(=O)c1ccc2c(c1)C[C@@]1(CCNC1=O)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.O=C(NO)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.S.S.S
InChIInChI=1S/C20H19NO3.C19H18N2O3.C14H15NO3.3H2S/c1-24-18(22)14-7-8-15-12-20(13-16(15)11-14)9-10-21(19(20)23)17-5-3-2-4-6-17;22-17(20-24)13-6-7-14-11-19(12-15(14)10-13)8-9-21(18(19)23)16-4-2-1-3-5-16;1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17;;;/h2-8,11H,9-10,12-13H2,1H3;1-7,10,24H,8-9,11-12H2,(H,20,22);2-3,6H,4-5,7-8H2,1H3,(H,15,17);3*1H2/t20-;19-;14-;;;/m001.../s1
InChIKeyBTFICGWIOGNAQZ-VWXAFNLJSA-N
MW991.27 g/mol
LogP6.74
Rot. Bonds5

About (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane

(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane (PubChem CID 157454693) has the molecular formula C53H58N4O9S3 and a molecular weight of 991.27 g/mol. Its IUPAC name is (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane.

Molecular Properties

Compound Name(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
PubChem CID157454693
Molecular FormulaC53H58N4O9S3
Molecular Weight991.27 g/mol
Exact Mass990.34
IUPAC Name(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
SMILESCOC(=O)c1ccc2c(c1)C[C@@]1(CCNC1=O)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.O=C(NO)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.S.S.S
InChIInChI=1S/C20H19NO3.C19H18N2O3.C14H15NO3.3H2S/c1-24-18(22)14-7-8-15-12-20(13-16(15)11-14)9-10-21(19(20)23)17-5-3-2-4-6-17;22-17(20-24)13-6-7-14-11-19(12-15(14)10-13)8-9-21(18(19)23)16-4-2-1-3-5-16;1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17;;;/h2-8,11H,9-10,12-13H2,1H3;1-7,10,24H,8-9,11-12H2,(H,20,22);2-3,6H,4-5,7-8H2,1H3,(H,15,17);3*1H2/t20-;19-;14-;;;/m001.../s1
InChIKeyBTFICGWIOGNAQZ-VWXAFNLJSA-N
XLogP6.74
TPSA171.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.27
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane with MolForge

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Related Compounds

N-hydroxy-2'-oxo-1'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 159351946
N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate
CID 159849424
N-hydroxy-2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[4-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
CID 167572800
N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
CID 167593186
1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167709765
(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
CID 157454692
N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate
CID 157485728
N-hydroxy-1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid;methyl 1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 157529517
(6S)-N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl (6S)-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl (6S)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;sulfane
CID 157960686
N-hydroxy-1'-(4-methylphenyl)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-(4-methylphenyl)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;1'-(4-methylphenyl)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
CID 158145234
1'-cyclopropyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-cyclopropyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 158190359
5-[2-[2-[4-(4-Amino-2-methylphenyl)-3-methylphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-5-[2-(1,3-dioxo-2-benzofuran-5-yl)propan-2-yl]isoindole-1,3-dione
CID 159370058

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?
The IUPAC name of (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane (CID 157454693) is (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane.
What is the SMILES notation for (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?
The canonical SMILES for (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane is COC(=O)c1ccc2c(c1)C[C@@]1(CCNC1=O)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.O=C(NO)c1ccc2c(c1)C[C@]1(CCN(c3ccccc3)C1=O)C2.S.S.S.
What is the InChIKey of (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?
The InChIKey is BTFICGWIOGNAQZ-VWXAFNLJSA-N. The full InChI is InChI=1S/C20H19NO3.C19H18N2O3.C14H15NO3.3H2S/c1-24-18(22)14-7-8-15-12-20(13-16(15)11-14)9-10-21(19(20)23)17-5-3-2-4-6-17;22-17(20-24)13-6-7-14-11-19(12-15(14)10-13)8-9-21(18(19)23)16-4-2-1-3-5-16;1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17;;;/h2-8,11H,9-10,12-13H2,1H3;1-7,10,24H,8-9,11-12H2,(H,20,22);2-3,6H,4-5,7-8H2,1H3,(H,15,17);3*1H2/t20-;19-;14-;;;/m001.../s1.
What are the key properties of (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?
(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane has a molecular weight of 991.27 g/mol, XLogP of 6.74, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane is sourced from PubChem (CID 157454693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).