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

C24H35N3O4S — CID 3439262

IUPAC4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1cc(NC(=O)N2CCC3(CC2)SCCN3C(=O)CCC2CCCC2)cc(OC)c1
InChIInChI=1S/C24H35N3O4S/c1-30-20-15-19(16-21(17-20)31-2)25-23(29)26-11-9-24(10-12-26)27(13-14-32-24)22(28)8-7-18-5-3-4-6-18/h15-18H,3-14H2,1-2H3,(H,25,29)
InChIKeyUSHSLIJUWYHDPA-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.57
Rot. Bonds6

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

4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3439262) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3439262
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1cc(NC(=O)N2CCC3(CC2)SCCN3C(=O)CCC2CCCC2)cc(OC)c1
InChIInChI=1S/C24H35N3O4S/c1-30-20-15-19(16-21(17-20)31-2)25-23(29)26-11-9-24(10-12-26)27(13-14-32-24)22(28)8-7-18-5-3-4-6-18/h15-18H,3-14H2,1-2H3,(H,25,29)
InChIKeyUSHSLIJUWYHDPA-UHFFFAOYSA-N
XLogP4.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyclopentylpropanoyl)-N-(2,6-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4222760
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3877023
4-(4-tert-butylbenzoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3955858
2-chloro-1-[4-(3-cyclopentylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3964615
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
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
1-[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 4675275
N-(3,5-dimethoxyphenyl)-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882924
4-(2-chlorobenzoyl)-N-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42773878
3-cyclopentyl-1-[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3948753
3-chloro-1-[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 3610837

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 3439262) is 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COc1cc(NC(=O)N2CCC3(CC2)SCCN3C(=O)CCC2CCCC2)cc(OC)c1.
What is the InChIKey of 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is USHSLIJUWYHDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-30-20-15-19(16-21(17-20)31-2)25-23(29)26-11-9-24(10-12-26)27(13-14-32-24)22(28)8-7-18-5-3-4-6-18/h15-18H,3-14H2,1-2H3,(H,25,29).
What are the key properties of 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3439262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).