N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide

C18H26N2O5S — CID 112994209

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26N2O5S/c1-14(2)15-3-5-16(6-4-15)26(22,23)19-13-17(21)20-9-7-18(8-10-20)24-11-12-25-18/h3-6,14,19H,7-13H2,1-2H3
InChIKeyJTUIZHZRJUFGTR-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 112994209) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID112994209
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26N2O5S/c1-14(2)15-3-5-16(6-4-15)26(22,23)19-13-17(21)20-9-7-18(8-10-20)24-11-12-25-18/h3-6,14,19H,7-13H2,1-2H3
InChIKeyJTUIZHZRJUFGTR-UHFFFAOYSA-N
XLogP1.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 112994213
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112991865
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2,4-dimethylbenzenesulfonamide
CID 112994205
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
CID 51095375
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112994198
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide
CID 38376490
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46380439
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide (CID 112994209) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JTUIZHZRJUFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-14(2)15-3-5-16(6-4-15)26(22,23)19-13-17(21)20-9-7-18(8-10-20)24-11-12-25-18/h3-6,14,19H,7-13H2,1-2H3.
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 382.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 112994209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).