N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide

C18H16N4O4S — CID 18107755

IUPACN'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NNC(=O)c1cccs1
InChIInChI=1S/C18H16N4O4S/c23-14(20-21-15(24)13-6-3-9-27-13)10-22-16(25)18(19-17(22)26)8-7-11-4-1-2-5-12(11)18/h1-6,9H,7-8,10H2,(H,19,26)(H,20,23)(H,21,24)
InChIKeyWOKKWKWWVSLGEU-UHFFFAOYSA-N
MW384.42 g/mol
LogP0.90
Rot. Bonds3

About N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide

N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 18107755) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID18107755
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NNC(=O)c1cccs1
InChIInChI=1S/C18H16N4O4S/c23-14(20-21-15(24)13-6-3-9-27-13)10-22-16(25)18(19-17(22)26)8-7-11-4-1-2-5-12(11)18/h1-6,9H,7-8,10H2,(H,19,26)(H,20,23)(H,21,24)
InChIKeyWOKKWKWWVSLGEU-UHFFFAOYSA-N
XLogP0.90
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17440300
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 40857381
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
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
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702812
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide (CID 18107755) is N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is WOKKWKWWVSLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-14(20-21-15(24)13-6-3-9-27-13)10-22-16(25)18(19-17(22)26)8-7-11-4-1-2-5-12(11)18/h1-6,9H,7-8,10H2,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 384.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 18107755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).