2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C26H24FN3O3S — CID 17475325

IUPAC2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCc3ccccc32)C1=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C26H24FN3O3S/c27-19-12-10-18(11-13-19)23(21-9-5-15-34-21)28-22(31)16-30-24(32)26(29-25(30)33)14-4-3-7-17-6-1-2-8-20(17)26/h1-2,5-6,8-13,15,23H,3-4,7,14,16H2,(H,28,31)(H,29,33)
InChIKeyYNXVXXTYSPZLPB-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.27
Rot. Bonds5

About 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 17475325) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID17475325
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Name2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCc3ccccc32)C1=O)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C26H24FN3O3S/c27-19-12-10-18(11-13-19)23(21-9-5-15-34-21)28-22(31)16-30-24(32)26(29-25(30)33)14-4-3-7-17-6-1-2-8-20(17)26/h1-2,5-6,8-13,15,23H,3-4,7,14,16H2,(H,28,31)(H,29,33)
InChIKeyYNXVXXTYSPZLPB-UHFFFAOYSA-N
XLogP4.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 24553080
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17440300
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41113491
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824856
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 41218827
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40777905
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 17475325) is 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is O=C(CN1C(=O)NC2(CCCCc3ccccc32)C1=O)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is YNXVXXTYSPZLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c27-19-12-10-18(11-13-19)23(21-9-5-15-34-21)28-22(31)16-30-24(32)26(29-25(30)33)14-4-3-7-17-6-1-2-8-20(17)26/h1-2,5-6,8-13,15,23H,3-4,7,14,16H2,(H,28,31)(H,29,33).
What are the key properties of 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 477.56 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 17475325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).