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

C18H25N3O5S — CID 4781675

IUPAC2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1C(=O)NC2(CCCc3sccc32)C1=O
InChIInChI=1S/C18H25N3O5S/c1-25-9-7-20(8-10-26-2)15(22)12-21-16(23)18(19-17(21)24)6-3-4-14-13(18)5-11-27-14/h5,11H,3-4,6-10,12H2,1-2H3,(H,19,24)
InChIKeyMQJIZJNLWUPELL-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.95
Rot. Bonds8

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

2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 4781675) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide
PubChem CID4781675
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1C(=O)NC2(CCCc3sccc32)C1=O
InChIInChI=1S/C18H25N3O5S/c1-25-9-7-20(8-10-26-2)15(22)12-21-16(23)18(19-17(21)24)6-3-4-14-13(18)5-11-27-14/h5,11H,3-4,6-10,12H2,1-2H3,(H,19,24)
InChIKeyMQJIZJNLWUPELL-UHFFFAOYSA-N
XLogP0.95
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide (CID 4781675) is 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)CN1C(=O)NC2(CCCc3sccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is MQJIZJNLWUPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-25-9-7-20(8-10-26-2)15(22)12-21-16(23)18(19-17(21)24)6-3-4-14-13(18)5-11-27-14/h5,11H,3-4,6-10,12H2,1-2H3,(H,19,24).
What are the key properties of 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide?
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 4781675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).