2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

C20H25N7O3S — CID 55608855

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(-n3nnnc3SC)c1)C2=O
InChIInChI=1S/C20H25N7O3S/c1-3-13-7-9-20(10-8-13)17(29)26(18(30)22-20)12-16(28)21-14-5-4-6-15(11-14)27-19(31-2)23-24-25-27/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,21,28)(H,22,30)
InChIKeyQAHJTQIGBNOELA-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.21
Rot. Bonds6

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (PubChem CID 55608855) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
PubChem CID55608855
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(-n3nnnc3SC)c1)C2=O
InChIInChI=1S/C20H25N7O3S/c1-3-13-7-9-20(10-8-13)17(29)26(18(30)22-20)12-16(28)21-14-5-4-6-15(11-14)27-19(31-2)23-24-25-27/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,21,28)(H,22,30)
InChIKeyQAHJTQIGBNOELA-UHFFFAOYSA-N
XLogP2.21
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 55584964
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
dimethyl 5-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 2443504
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119515473
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36947132

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (CID 55608855) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(-n3nnnc3SC)c1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is QAHJTQIGBNOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-3-13-7-9-20(10-8-13)17(29)26(18(30)22-20)12-16(28)21-14-5-4-6-15(11-14)27-19(31-2)23-24-25-27/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,21,28)(H,22,30).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55608855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).