N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide

C20H27N3O3S — CID 73140329

IUPACN-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)C1C
InChIInChI=1S/C20H27N3O3S/c1-12-5-3-6-15(13(12)2)21-17(24)11-23-18(25)20(22-19(23)26)9-4-7-16-14(20)8-10-27-16/h8,10,12-13,15H,3-7,9,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyZWGMPSAWQFEYIC-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.77
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 73140329) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID73140329
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)C1C
InChIInChI=1S/C20H27N3O3S/c1-12-5-3-6-15(13(12)2)21-17(24)11-23-18(25)20(22-19(23)26)9-4-7-16-14(20)8-10-27-16/h8,10,12-13,15H,3-7,9,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyZWGMPSAWQFEYIC-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)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-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7772551
N-cyclopropyl-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772252
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide
CID 7771871
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7919403
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 7772282
N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 7772570
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 112777334
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7771270
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 124719135
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 7772461
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N,N-diethylacetamide
CID 7919395

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide (CID 73140329) is N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide is CC1CCCC(NC(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is ZWGMPSAWQFEYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-12-5-3-6-15(13(12)2)21-17(24)11-23-18(25)20(22-19(23)26)9-4-7-16-14(20)8-10-27-16/h8,10,12-13,15H,3-7,9,11H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 73140329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).