2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide

C24H28N4OS — CID 50744473

IUPAC2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccccc1)=N2
InChIInChI=1S/C24H28N4OS/c1-3-28-15-13-24(14-16-28)26-22(19-7-5-4-6-8-19)23(27-24)30-17-21(29)25-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,25,29)
InChIKeyOSVNNZWSJWODMM-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.38
Rot. Bonds5

About 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide

2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 50744473) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID50744473
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccccc1)=N2
InChIInChI=1S/C24H28N4OS/c1-3-28-15-13-24(14-16-28)26-22(19-7-5-4-6-8-19)23(27-24)30-17-21(29)25-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,25,29)
InChIKeyOSVNNZWSJWODMM-UHFFFAOYSA-N
XLogP4.38
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[8-ethyl-2-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 50744497
2-[[2-(4-chlorophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 50744635
2-[[8-ethyl-2-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 50744627
2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22428544
N-(5-chloro-2-methylphenyl)-2-[[8-ethyl-2-(4-methylphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 50744575
N-(2,4-difluorophenyl)-2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50744598
N-(4-bromophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428706
2-[[2-(4-bromophenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-quinolin-3-ylacetamide
CID 139434795
N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428871
N-(3,4-dimethylphenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428834
2-(4-methylphenyl)-N-phenyl-3-propylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
CID 71843796
N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428713

Frequently Asked Questions

What is the IUPAC name of 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide (CID 50744473) is 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide is CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccccc1)=N2.
What is the InChIKey of 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is OSVNNZWSJWODMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-3-28-15-13-24(14-16-28)26-22(19-7-5-4-6-8-19)23(27-24)30-17-21(29)25-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,25,29).
What are the key properties of 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide?
2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 420.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 50744473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).