2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C21H21N3O4S — CID 43028497

IUPAC2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O4S/c1-2-10-23(13-15-6-5-12-29-15)18(25)14-24-19(26)21(22-20(24)27)9-11-28-17-8-4-3-7-16(17)21/h2-8,12H,1,9-11,13-14H2,(H,22,27)
InChIKeyQCJQHFIOKOQVCJ-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.49
Rot. Bonds6

About 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43028497) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43028497
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O4S/c1-2-10-23(13-15-6-5-12-29-15)18(25)14-24-19(26)21(22-20(24)27)9-11-28-17-8-4-3-7-16(17)21/h2-8,12H,1,9-11,13-14H2,(H,22,27)
InChIKeyQCJQHFIOKOQVCJ-UHFFFAOYSA-N
XLogP2.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 43030989
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 17429506
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8521709
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 27915789
(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711524
N-benzyl-N-tert-butyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7640156
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86915725
(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 25362814
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 43028497) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QCJQHFIOKOQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-2-10-23(13-15-6-5-12-29-15)18(25)14-24-19(26)21(22-20(24)27)9-11-28-17-8-4-3-7-16(17)21/h2-8,12H,1,9-11,13-14H2,(H,22,27).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43028497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).