N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide

C25H32N6O3S — CID 70346332

IUPACN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCCCc1nnc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)o1
InChIInChI=1S/C25H32N6O3S/c1-6-7-24-28-29-25(34-24)23(14-17(2)3)30(5)35(32,33)20-10-8-19(9-11-20)16-31-18(4)27-21-15-26-13-12-22(21)31/h8-13,15,17,23H,6-7,14,16H2,1-5H3
InChIKeyIJWKRGCHYYKCHL-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.53
Rot. Bonds10

About N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (PubChem CID 70346332) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
PubChem CID70346332
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
SMILESCCCc1nnc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)o1
InChIInChI=1S/C25H32N6O3S/c1-6-7-24-28-29-25(34-24)23(14-17(2)3)30(5)35(32,33)20-10-8-19(9-11-20)16-31-18(4)27-21-15-26-13-12-22(21)31/h8-13,15,17,23H,6-7,14,16H2,1-5H3
InChIKeyIJWKRGCHYYKCHL-UHFFFAOYSA-N
XLogP4.53
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide (CID 70346332) is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is CCCc1nnc(C(CC(C)C)N(C)S(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)o1.
What is the InChIKey of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
The InChIKey is IJWKRGCHYYKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-6-7-24-28-29-25(34-24)23(14-17(2)3)30(5)35(32,33)20-10-8-19(9-11-20)16-31-18(4)27-21-15-26-13-12-22(21)31/h8-13,15,17,23H,6-7,14,16H2,1-5H3.
What are the key properties of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide?
N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide has a molecular weight of 496.64 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 70346332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).