N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

C24H32N2O3S — CID 42190119

IUPACN-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(CCCSC)CC2
InChIInChI=1S/C24H32N2O3S/c1-3-28-22-21(25-23(27)20-10-6-16-29-20)18-8-4-5-9-19(18)24(22)11-14-26(15-12-24)13-7-17-30-2/h4-6,8-10,16,21-22H,3,7,11-15,17H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyWGDSKIWDHKSCFV-YADHBBJMSA-N
MW428.60 g/mol
LogP4.26
Rot. Bonds8

About N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide

N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (PubChem CID 42190119) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
PubChem CID42190119
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(CCCSC)CC2
InChIInChI=1S/C24H32N2O3S/c1-3-28-22-21(25-23(27)20-10-6-16-29-20)18-8-4-5-9-19(18)24(22)11-14-26(15-12-24)13-7-17-30-2/h4-6,8-10,16,21-22H,3,7,11-15,17H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
InChIKeyWGDSKIWDHKSCFV-YADHBBJMSA-N
XLogP4.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-1'-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 133132039
N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118755045
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 42431441
N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
N-[(1R,2R)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 26350129
N-[(1R,2R)-2-methoxy-1'-(3-phenylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 26283267
N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118754439
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42405344
N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide (CID 42190119) is N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(CCCSC)CC2.
What is the InChIKey of N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
The InChIKey is WGDSKIWDHKSCFV-YADHBBJMSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-3-28-22-21(25-23(27)20-10-6-16-29-20)18-8-4-5-9-19(18)24(22)11-14-26(15-12-24)13-7-17-30-2/h4-6,8-10,16,21-22H,3,7,11-15,17H2,1-2H3,(H,25,27)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide?
N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide is sourced from PubChem (CID 42190119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).