N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C17H20N4O4S — CID 55484732

IUPACN-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCSC2)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H20N4O4S/c22-13(19-15(24)18-10-12-4-2-1-3-5-12)6-8-21-14(23)17(20-16(21)25)7-9-26-11-17/h1-5H,6-11H2,(H,20,25)(H2,18,19,22,24)
InChIKeyBLKJDOTVKOQWHY-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.83
Rot. Bonds5

About N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 55484732) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID55484732
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCSC2)C1=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H20N4O4S/c22-13(19-15(24)18-10-12-4-2-1-3-5-12)6-8-21-14(23)17(20-16(21)25)7-9-26-11-17/h1-5H,6-11H2,(H,20,25)(H2,18,19,22,24)
InChIKeyBLKJDOTVKOQWHY-UHFFFAOYSA-N
XLogP0.83
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
CID 2460368
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
CID 55484731
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)propanamide
CID 24674218
N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 18134850
N-(benzylcarbamoyl)-3-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 24592825
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 42979279
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
CID 55310160
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 55484732) is N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCSC2)C1=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is BLKJDOTVKOQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c22-13(19-15(24)18-10-12-4-2-1-3-5-12)6-8-21-14(23)17(20-16(21)25)7-9-26-11-17/h1-5H,6-11H2,(H,20,25)(H2,18,19,22,24).
What are the key properties of N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 376.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 55484732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).