N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

C19H25N3O4S — CID 8522807

IUPACN-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C19H25N3O4S/c1-18(2,3)15(24)20-10-12-6-7-14(27-12)13(23)11-22-16(25)19(21-17(22)26)8-4-5-9-19/h6-7H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyLXENWCMTWSEFPO-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.46
Rot. Bonds5

About N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide

N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 8522807) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID8522807
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C19H25N3O4S/c1-18(2,3)15(24)20-10-12-6-7-14(27-12)13(23)11-22-16(25)19(21-17(22)26)8-4-5-9-19/h6-7H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,26)
InChIKeyLXENWCMTWSEFPO-UHFFFAOYSA-N
XLogP2.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7240798
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
3'-[2-(5-Methylthiophen-2-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16302900
6-Methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16324297
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2490637
N-cyclopentyl-1-{[(2,5-dioxoimidazolidin-4-yl)acetyl](thiophen-2-ylmethyl)amino}cyclohexanecarboxamide
CID 3904286
3-[2-(5-Chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7611368
2,2-dimethyl-N-[[5-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]thiophen-2-yl]methyl]propanamide
CID 8522017
3-[2-Oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8522790
N-[[5-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]thiophen-2-yl]methyl]acetamide
CID 16327833
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 130191212

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide (CID 8522807) is N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is LXENWCMTWSEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-18(2,3)15(24)20-10-12-6-7-14(27-12)13(23)11-22-16(25)19(21-17(22)26)8-4-5-9-19/h6-7H,4-5,8-11H2,1-3H3,(H,20,24)(H,21,26).
What are the key properties of N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 8522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).