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

C19H24N4O6S — CID 46380439

IUPACN-[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
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)N3CCC4(CC3)OCCO4)c2)no1
InChIInChI=1S/C19H24N4O6S/c1-13-3-4-15(18-21-14(2)29-22-18)11-16(13)30(25,26)20-12-17(24)23-7-5-19(6-8-23)27-9-10-28-19/h3-4,11,20H,5-10,12H2,1-2H3
InChIKeyZWYOOOGPHZQJBD-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.00
Rot. Bonds5

About 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

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 (PubChem CID 46380439) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID46380439
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-[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
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)N3CCC4(CC3)OCCO4)c2)no1
InChIInChI=1S/C19H24N4O6S/c1-13-3-4-15(18-21-14(2)29-22-18)11-16(13)30(25,26)20-12-17(24)23-7-5-19(6-8-23)27-9-10-28-19/h3-4,11,20H,5-10,12H2,1-2H3
InChIKeyZWYOOOGPHZQJBD-UHFFFAOYSA-N
XLogP1.00
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(-c2ccc(C)c(S(=O)(=O)NCC(=O)N3CCC4(CC3)OCCO4)c2)no1.
What is the InChIKey of 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?
The InChIKey is ZWYOOOGPHZQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-13-3-4-15(18-21-14(2)29-22-18)11-16(13)30(25,26)20-12-17(24)23-7-5-19(6-8-23)27-9-10-28-19/h3-4,11,20H,5-10,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 436.49 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 46380439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).