4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide

C18H23N3O3S — CID 18151070

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)5-4-12-21-16(23)18(20-17(21)24)10-2-3-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyAVMHANKDXUXESE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.99
Rot. Bonds6

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide (PubChem CID 18151070) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
PubChem CID18151070
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)5-4-12-21-16(23)18(20-17(21)24)10-2-3-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyAVMHANKDXUXESE-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.99
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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493942
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 9467840
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
[2-(4-acetylanilino)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671664
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 17413483
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N'-[2-(4-methylanilino)acetyl]butanehydrazide
CID 55377513
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylbutanamide
CID 17429861
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide (CID 18151070) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide is CSc1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide?
The InChIKey is AVMHANKDXUXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-25-14-8-6-13(7-9-14)19-15(22)5-4-12-21-16(23)18(20-17(21)24)10-2-3-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide has a molecular weight of 361.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 18151070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).