3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C21H28N4O6S — CID 24666189

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O6S/c26-18(7-10-25-19(27)21(23-20(25)28)8-3-4-9-21)22-15-16-5-1-2-6-17(16)32(29,30)24-11-13-31-14-12-24/h1-2,5-6H,3-4,7-15H2,(H,22,26)(H,23,28)
InChIKeySFZZBEQLJPWDPO-UHFFFAOYSA-N
MW464.54 g/mol
LogP0.58
Rot. Bonds7

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 24666189) has the molecular formula C21H28N4O6S and a molecular weight of 464.54 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID24666189
Molecular FormulaC21H28N4O6S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H28N4O6S/c26-18(7-10-25-19(27)21(23-20(25)28)8-3-4-9-21)22-15-16-5-1-2-6-17(16)32(29,30)24-11-13-31-14-12-24/h1-2,5-6H,3-4,7-15H2,(H,22,26)(H,23,28)
InChIKeySFZZBEQLJPWDPO-UHFFFAOYSA-N
XLogP0.58
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31515582
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55664754
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24551077
3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 167973790
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 9154507
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
4-(aminomethyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]oxane-4-carboxamide
CID 120920802

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 24666189) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is SFZZBEQLJPWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6S/c26-18(7-10-25-19(27)21(23-20(25)28)8-3-4-9-21)22-15-16-5-1-2-6-17(16)32(29,30)24-11-13-31-14-12-24/h1-2,5-6H,3-4,7-15H2,(H,22,26)(H,23,28).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 464.54 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 24666189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).