N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C18H25N3O3S — CID 46113036

IUPACN-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CSC12CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C18H25N3O3S/c1-24-12-11-21-16(22)14-25-18(21)7-9-20(10-8-18)17(23)19-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,23)
InChIKeyRSAZKVAAXHGPQG-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.91
Rot. Bonds5

About N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46113036) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46113036
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CSC12CCN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C18H25N3O3S/c1-24-12-11-21-16(22)14-25-18(21)7-9-20(10-8-18)17(23)19-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,23)
InChIKeyRSAZKVAAXHGPQG-UHFFFAOYSA-N
XLogP1.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113052
N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882924
N-benzyl-13-(2-methoxyethyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 134076964
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 72913982
N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 156605068
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-benzyl-4-(3-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4552754
1-benzyl-3-[1-(2-methoxyethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494227
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzylazonane-1-carboxamide
CID 130689649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46113036) is N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COCCN1C(=O)CSC12CCN(C(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is RSAZKVAAXHGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-12-11-21-16(22)14-25-18(21)7-9-20(10-8-18)17(23)19-13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,19,23).
What are the key properties of N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46113036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).