N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide

C18H26N2O7S — CID 7618765

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C18H26N2O7S/c1-24-15-4-3-14(13-16(15)25-2)17(21)19-7-12-28(22,23)20-8-5-18(6-9-20)26-10-11-27-18/h3-4,13H,5-12H2,1-2H3,(H,19,21)
InChIKeyOVNOAUMXXSPAOL-UHFFFAOYSA-N
MW414.48 g/mol
LogP0.60
Rot. Bonds7

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 7618765) has the molecular formula C18H26N2O7S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
PubChem CID7618765
Molecular FormulaC18H26N2O7S
Molecular Weight414.48 g/mol
Exact Mass414.15
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C18H26N2O7S/c1-24-15-4-3-14(13-16(15)25-2)17(21)19-7-12-28(22,23)20-8-5-18(6-9-20)26-10-11-27-18/h3-4,13H,5-12H2,1-2H3,(H,19,21)
InChIKeyOVNOAUMXXSPAOL-UHFFFAOYSA-N
XLogP0.60
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide
CID 38376490
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide (CID 7618765) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)N2CCC3(CC2)OCCO3)cc1OC.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is OVNOAUMXXSPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7S/c1-24-15-4-3-14(13-16(15)25-2)17(21)19-7-12-28(22,23)20-8-5-18(6-9-20)26-10-11-27-18/h3-4,13H,5-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 414.48 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 7618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).