2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C18H23N3O3S — CID 7771781

IUPAC2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O
InChIInChI=1S/C18H23N3O3S/c1-4-20(10-12(2)3)15(22)11-21-16(23)18(19-17(21)24)8-5-6-14-13(18)7-9-25-14/h7,9H,2,4-6,8,10-11H2,1,3H3,(H,19,24)/t18-/m1/s1
InChIKeyQLEUUQNDCCUBIL-GOSISDBHSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds5

About 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 7771781) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID7771781
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O
InChIInChI=1S/C18H23N3O3S/c1-4-20(10-12(2)3)15(22)11-21-16(23)18(19-17(21)24)8-5-6-14-13(18)7-9-25-14/h7,9H,2,4-6,8,10-11H2,1,3H3,(H,19,24)/t18-/m1/s1
InChIKeyQLEUUQNDCCUBIL-GOSISDBHSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N,N-diethylacetamide
CID 7919395
N-cyclohexyl-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 7772570
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 17429506
N-benzyl-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-propan-2-ylacetamide
CID 7771752
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772587
N-[1-(4-chlorophenyl)ethyl]-2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 112816736
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 41291971
(4R)-3'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772027
(4R)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771390
(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772053
(4S)-3'-[2-(1-adamantyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771310
N-cyclopropyl-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772252

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 7771781) is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O.
What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is QLEUUQNDCCUBIL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-20(10-12(2)3)15(22)11-21-16(23)18(19-17(21)24)8-5-6-14-13(18)7-9-25-14/h7,9H,2,4-6,8,10-11H2,1,3H3,(H,19,24)/t18-/m1/s1.
What are the key properties of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 7771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).