N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide

C24H37N3O4S — CID 166107465

IUPACN-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCNC(=O)N1CCCC2(CCCS(=O)(=O)N2)C1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H37N3O4S/c1-2-25-23(28)27-16-6-14-24(15-7-17-32(29,30)26-24)22(27)18-31-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-9,20-22,26H,2,6-7,10-18H2,1H3,(H,25,28)
InChIKeyWSVZRHFUXNPFKD-UHFFFAOYSA-N
MW463.64 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide

N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 166107465) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID166107465
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC NameN-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCNC(=O)N1CCCC2(CCCS(=O)(=O)N2)C1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H37N3O4S/c1-2-25-23(28)27-16-6-14-24(15-7-17-32(29,30)26-24)22(27)18-31-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-9,20-22,26H,2,6-7,10-18H2,1H3,(H,25,28)
InChIKeyWSVZRHFUXNPFKD-UHFFFAOYSA-N
XLogP3.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 166107465) is N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide is CCNC(=O)N1CCCC2(CCCS(=O)(=O)N2)C1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is WSVZRHFUXNPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-2-25-23(28)27-16-6-14-24(15-7-17-32(29,30)26-24)22(27)18-31-21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-5,8-9,20-22,26H,2,6-7,10-18H2,1H3,(H,25,28).
What are the key properties of N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide?
N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 463.64 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dioxo-7-[(4-phenylcyclohexyl)oxymethyl]-2λ6-thia-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 166107465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).