N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide

C23H28N2O5S — CID 71276480

IUPACN-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide
SMILESCC1(C)CC2(CCOCC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc3c21
InChIInChI=1S/C23H28N2O5S/c1-22(2)13-23(6-8-30-9-7-23)20(26)19-18(22)16-11-14(3-4-17(16)25-19)21(27)24-15-5-10-31(28,29)12-15/h3-4,11,15,25H,5-10,12-13H2,1-2H3,(H,24,27)
InChIKeyOOTGPHOXMUVKIB-UHFFFAOYSA-N
MW444.55 g/mol
LogP2.75
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide (PubChem CID 71276480) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide
PubChem CID71276480
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide
SMILESCC1(C)CC2(CCOCC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc3c21
InChIInChI=1S/C23H28N2O5S/c1-22(2)13-23(6-8-30-9-7-23)20(26)19-18(22)16-11-14(3-4-17(16)25-19)21(27)24-15-5-10-31(28,29)12-15/h3-4,11,15,25H,5-10,12-13H2,1-2H3,(H,24,27)
InChIKeyOOTGPHOXMUVKIB-UHFFFAOYSA-N
XLogP2.75
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide (CID 71276480) is N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide is CC1(C)CC2(CCOCC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc3c21.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide?
The InChIKey is OOTGPHOXMUVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-22(2)13-23(6-8-30-9-7-23)20(26)19-18(22)16-11-14(3-4-17(16)25-19)21(27)24-15-5-10-31(28,29)12-15/h3-4,11,15,25H,5-10,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide has a molecular weight of 444.55 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,4'-oxane]-3-carboxamide is sourced from PubChem (CID 71276480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).