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

C19H27N3O3S — CID 46113052

IUPACN-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2CCOC
InChIInChI=1S/C19H27N3O3S/c1-3-15-6-4-5-7-16(15)20-18(24)21-10-8-19(9-11-21)22(12-13-25-2)17(23)14-26-19/h4-7H,3,8-14H2,1-2H3,(H,20,24)
InChIKeyLKUWXZORIXPXAQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.79
Rot. Bonds5

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

N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46113052) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46113052
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2CCOC
InChIInChI=1S/C19H27N3O3S/c1-3-15-6-4-5-7-16(15)20-18(24)21-10-8-19(9-11-21)22(12-13-25-2)17(23)14-26-19/h4-7H,3,8-14H2,1-2H3,(H,20,24)
InChIKeyLKUWXZORIXPXAQ-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882924
N-(2-fluorophenyl)-4-(2-methoxyethyl)-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 91920547
N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51054821
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
4-(4-chlorophenyl)-N-(2-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113074
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882941
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
2-(2-methoxyethyl)-N-naphthalen-1-yl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 176504065

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46113052) is N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2CCOC.
What is the InChIKey of N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is LKUWXZORIXPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-15-6-4-5-7-16(15)20-18(24)21-10-8-19(9-11-21)22(12-13-25-2)17(23)14-26-19/h4-7H,3,8-14H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46113052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).