(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C16H19N3O4S — CID 7772053

IUPAC(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCOCC1
InChIInChI=1S/C16H19N3O4S/c20-13(18-5-7-23-8-6-18)10-19-14(21)16(17-15(19)22)4-1-2-12-11(16)3-9-24-12/h3,9H,1-2,4-8,10H2,(H,17,22)/t16-/m1/s1
InChIKeyNOOWQEHZOIONBT-MRXNPFEDSA-N
MW349.41 g/mol
LogP0.69
Rot. Bonds2

About (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 7772053) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
PubChem CID7772053
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCOCC1
InChIInChI=1S/C16H19N3O4S/c20-13(18-5-7-23-8-6-18)10-19-14(21)16(17-15(19)22)4-1-2-12-11(16)3-9-24-12/h3,9H,1-2,4-8,10H2,(H,17,22)/t16-/m1/s1
InChIKeyNOOWQEHZOIONBT-MRXNPFEDSA-N
XLogP0.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772587
3'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 4879273
(4S)-3'-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41155646
(4R)-3'-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40813747
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N,N-diethylacetamide
CID 7919395
(4R)-3'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7772027
(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
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 7772282
(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
N-(1,3-benzodioxol-5-yl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772229
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 7772461

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 7772053) is (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCOCC1.
What is the InChIKey of (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is NOOWQEHZOIONBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-13(18-5-7-23-8-6-18)10-19-14(21)16(17-15(19)22)4-1-2-12-11(16)3-9-24-12/h3,9H,1-2,4-8,10H2,(H,17,22)/t16-/m1/s1.
What are the key properties of (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 349.41 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-(2-morpholin-4-yl-2-oxoethyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 7772053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).