N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

C21H24N4O5S — CID 27533515

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H24N4O5S/c26-18(24-25-19(27)21(23-20(25)28)11-4-1-5-12-21)10-13-22-31(29,30)17-9-8-15-6-2-3-7-16(15)14-17/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,28)(H,24,26)
InChIKeyDYPGZELJOINVRZ-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.79
Rot. Bonds6

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 27533515) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID27533515
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H24N4O5S/c26-18(24-25-19(27)21(23-20(25)28)11-4-1-5-12-21)10-13-22-31(29,30)17-9-8-15-6-2-3-7-16(15)14-17/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,28)(H,24,26)
InChIKeyDYPGZELJOINVRZ-UHFFFAOYSA-N
XLogP1.79
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.79
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

3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24537070
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 8873669
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27509133
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 27533515) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is DYPGZELJOINVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c26-18(24-25-19(27)21(23-20(25)28)11-4-1-5-12-21)10-13-22-31(29,30)17-9-8-15-6-2-3-7-16(15)14-17/h2-3,6-9,14,22H,1,4-5,10-13H2,(H,23,28)(H,24,26).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 444.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 27533515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).