N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C22H25N3O2S — CID 46113187

IUPACN,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-16-3-7-18(8-4-16)23-21(27)24-13-11-22(12-14-24)25(20(26)15-28-22)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyNDSYYGDVOHLHMR-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.41
Rot. Bonds2

About N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46113187) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46113187
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C22H25N3O2S/c1-16-3-7-18(8-4-16)23-21(27)24-13-11-22(12-14-24)25(20(26)15-28-22)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeyNDSYYGDVOHLHMR-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46113187) is N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is Cc1ccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)cc1.
What is the InChIKey of N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NDSYYGDVOHLHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-16-3-7-18(8-4-16)23-21(27)24-13-11-22(12-14-24)25(20(26)15-28-22)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46113187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).