7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

C19H18N2O3S — CID 70788111

IUPAC7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1scc(C(=O)N2CCC3(CC(=O)NC3=O)C2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O3S/c1-12-16(13-5-3-2-4-6-13)14(10-25-12)17(23)21-8-7-19(11-21)9-15(22)20-18(19)24/h2-6,10H,7-9,11H2,1H3,(H,20,22,24)
InChIKeyVEUFAPPKJVFKMM-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.60
Rot. Bonds2

About 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70788111) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70788111
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1scc(C(=O)N2CCC3(CC(=O)NC3=O)C2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O3S/c1-12-16(13-5-3-2-4-6-13)14(10-25-12)17(23)21-8-7-19(11-21)9-15(22)20-18(19)24/h2-6,10H,7-9,11H2,1H3,(H,20,22,24)
InChIKeyVEUFAPPKJVFKMM-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione with MolForge

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Related Compounds

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CID 9551005
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CID 2447993
4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 5154807
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
3-oxo-2-propyl-N-(thien-2-ylmethyl)isoindoline-4-carboxamide
CID 3245972
1-(1-benzothiophene-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49778471
N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1-benzothiophene-3-carboxamide
CID 2225381
2-Methyl-4-[(2-thiophen-2-ylethylamino)methyl]isoindole-1,3-dione
CID 53392518
N-[3-(azepan-1-yl)propyl]-4-phenylthiophene-2-carboxamide
CID 164628093
(5-methyl-4-phenyl(3-thienyl))-N-(1-propyl(4-piperidyl))carboxamide
CID 17249931
N-methyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 30858781
N-ethyl-N-methyl-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680415

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70788111) is 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is Cc1scc(C(=O)N2CCC3(CC(=O)NC3=O)C2)c1-c1ccccc1.
What is the InChIKey of 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is VEUFAPPKJVFKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-16(13-5-3-2-4-6-13)14(10-25-12)17(23)21-8-7-19(11-21)9-15(22)20-18(19)24/h2-6,10H,7-9,11H2,1H3,(H,20,22,24).
What are the key properties of 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 354.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70788111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).