3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide

C19H23ClN4O4S — CID 167929100

IUPAC3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)N=S1(=O)CCC2(CCN2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-13-1-3-14(4-2-13)24-17(26)15(22-18(24)27)5-6-16(25)23-29(28)11-8-19(9-12-29)7-10-21-19/h1-4,15,21H,5-12H2,(H,22,27)
InChIKeyJEJWHYWNMLUURI-UHFFFAOYSA-N
MW438.94 g/mol
LogP2.07
Rot. Bonds4

About 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide

3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide (PubChem CID 167929100) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide
PubChem CID167929100
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide
SMILESO=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)N=S1(=O)CCC2(CCN2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-13-1-3-14(4-2-13)24-17(26)15(22-18(24)27)5-6-16(25)23-29(28)11-8-19(9-12-29)7-10-21-19/h1-4,15,21H,5-12H2,(H,22,27)
InChIKeyJEJWHYWNMLUURI-UHFFFAOYSA-N
XLogP2.07
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide (CID 167929100) is 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide is O=C(CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O)N=S1(=O)CCC2(CCN2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide?
The InChIKey is JEJWHYWNMLUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c20-13-1-3-14(4-2-13)24-17(26)15(22-18(24)27)5-6-16(25)23-29(28)11-8-19(9-12-29)7-10-21-19/h1-4,15,21H,5-12H2,(H,22,27).
What are the key properties of 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide?
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide has a molecular weight of 438.94 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(7-oxo-7λ6-thia-1-azaspiro[3.5]nonan-7-ylidene)propanamide is sourced from PubChem (CID 167929100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).