N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide

C37H32NOPS — CID 134528460

IUPACN-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccc2c1[C@@]1(CC2)CCc2cccc(P(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C37H32NOPS/c39-34(26-41-31-18-8-3-9-19-31)38-32-20-10-12-27-22-24-37(35(27)32)25-23-28-13-11-21-33(36(28)37)40(29-14-4-1-5-15-29)30-16-6-2-7-17-30/h1-21H,22-26H2,(H,38,39)/t37-/m1/s1
InChIKeyFAEDVABFVLWAAN-DIPNUNPCSA-N
MW569.71 g/mol
LogP7.35
Rot. Bonds7

About N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide

N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide (PubChem CID 134528460) has the molecular formula C37H32NOPS and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide
PubChem CID134528460
Molecular FormulaC37H32NOPS
Molecular Weight569.71 g/mol
Exact Mass569.19
IUPAC NameN-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cccc2c1[C@@]1(CC2)CCc2cccc(P(c3ccccc3)c3ccccc3)c21
InChIInChI=1S/C37H32NOPS/c39-34(26-41-31-18-8-3-9-19-31)38-32-20-10-12-27-22-24-37(35(27)32)25-23-28-13-11-21-33(36(28)37)40(29-14-4-1-5-15-29)30-16-6-2-7-17-30/h1-21H,22-26H2,(H,38,39)/t37-/m1/s1
InChIKeyFAEDVABFVLWAAN-DIPNUNPCSA-N
XLogP7.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide (CID 134528460) is N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cccc2c1[C@@]1(CC2)CCc2cccc(P(c3ccccc3)c3ccccc3)c21.
What is the InChIKey of N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide?
The InChIKey is FAEDVABFVLWAAN-DIPNUNPCSA-N. The full InChI is InChI=1S/C37H32NOPS/c39-34(26-41-31-18-8-3-9-19-31)38-32-20-10-12-27-22-24-37(35(27)32)25-23-28-13-11-21-33(36(28)37)40(29-14-4-1-5-15-29)30-16-6-2-7-17-30/h1-21H,22-26H2,(H,38,39)/t37-/m1/s1.
What are the key properties of N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide?
N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 569.71 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4'-diphenylphosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 134528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).