N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C19H27N3O5S — CID 42882924

IUPACN-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CSC12CCN(C(=O)Nc1cc(OC)cc(OC)c1)CC2
InChIInChI=1S/C19H27N3O5S/c1-25-9-8-22-17(23)13-28-19(22)4-6-21(7-5-19)18(24)20-14-10-15(26-2)12-16(11-14)27-3/h10-12H,4-9,13H2,1-3H3,(H,20,24)
InChIKeyNHQSODNHQLGHHZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.25
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 42882924) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID42882924
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)CSC12CCN(C(=O)Nc1cc(OC)cc(OC)c1)CC2
InChIInChI=1S/C19H27N3O5S/c1-25-9-8-22-17(23)13-28-19(22)4-6-21(7-5-19)18(24)20-14-10-15(26-2)12-16(11-14)27-3/h10-12H,4-9,13H2,1-3H3,(H,20,24)
InChIKeyNHQSODNHQLGHHZ-UHFFFAOYSA-N
XLogP2.25
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882941
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3439262
4-(4-tert-butylbenzoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3955858
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113187
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
N-(3-methoxyphenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3943225
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 42882924) is N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COCCN1C(=O)CSC12CCN(C(=O)Nc1cc(OC)cc(OC)c1)CC2.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NHQSODNHQLGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-25-9-8-22-17(23)13-28-19(22)4-6-21(7-5-19)18(24)20-14-10-15(26-2)12-16(11-14)27-3/h10-12H,4-9,13H2,1-3H3,(H,20,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 42882924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).