4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C24H28ClN3O4S — CID 3540252

IUPAC4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)SCCN2C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-2-31-21-6-4-3-5-20(21)26-23(30)27-13-11-24(12-14-27)28(15-16-33-24)22(29)17-32-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,30)
InChIKeyAEEMENJCCIHEGZ-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.72
Rot. Bonds6

About 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3540252) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3540252
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)SCCN2C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O4S/c1-2-31-21-6-4-3-5-20(21)26-23(30)27-13-11-24(12-14-27)28(15-16-33-24)22(29)17-32-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,30)
InChIKeyAEEMENJCCIHEGZ-UHFFFAOYSA-N
XLogP4.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3351933
N-butyl-4-[2-(4-chlorophenoxy)acetyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3979853
4-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3956724
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 90510786
3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24829774
4-(2-fluorobenzoyl)-N-(2-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 5028665
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
1-[8-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-2-phenoxyethanone
CID 3568623
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2,3-dimethylphenyl)-4-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3615690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 3540252) is 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCOc1ccccc1NC(=O)N1CCC2(CC1)SCCN2C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is AEEMENJCCIHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-2-31-21-6-4-3-5-20(21)26-23(30)27-13-11-24(12-14-27)28(15-16-33-24)22(29)17-32-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,30).
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3540252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).