2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide

C29H30N2O3S — CID 15950266

IUPAC2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide
SMILESCC1SC2(CCC(c3ccccc3)CC2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C29H30N2O3S/c1-21-26(32)31(28(35-21)19-17-23(18-20-28)22-11-5-2-6-12-22)30-27(33)29(34,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21,23,34H,17-20H2,1H3,(H,30,33)
InChIKeyNMFQXFHUSTVPTE-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.97
Rot. Bonds5

About 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide

2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide (PubChem CID 15950266) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide
PubChem CID15950266
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC Name2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide
SMILESCC1SC2(CCC(c3ccccc3)CC2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C29H30N2O3S/c1-21-26(32)31(28(35-21)19-17-23(18-20-28)22-11-5-2-6-12-22)30-27(33)29(34,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21,23,34H,17-20H2,1H3,(H,30,33)
InChIKeyNMFQXFHUSTVPTE-UHFFFAOYSA-N
XLogP4.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide (CID 15950266) is 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide is CC1SC2(CCC(c3ccccc3)CC2)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide?
The InChIKey is NMFQXFHUSTVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-21-26(32)31(28(35-21)19-17-23(18-20-28)22-11-5-2-6-12-22)30-27(33)29(34,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21,23,34H,17-20H2,1H3,(H,30,33).
What are the key properties of 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide?
2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide has a molecular weight of 486.64 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 15950266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).