N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide

C23H29N3O6S2 — CID 178093984

IUPACN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
SMILESCOc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCOCC4)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H29N3O6S2/c1-23(2,3)33(27,28)21-15-26-19(14-24-22(26)13-20(21)31-4)16-6-5-7-17(12-16)25-34(29,30)18-8-10-32-11-9-18/h5-7,12-15,18,25H,8-11H2,1-4H3
InChIKeyASKCCURSYMYPEW-UHFFFAOYSA-N
MW507.63 g/mol
LogP3.50
Rot. Bonds6

About N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide

N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide (PubChem CID 178093984) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
PubChem CID178093984
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC NameN-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide
SMILESCOc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCOCC4)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H29N3O6S2/c1-23(2,3)33(27,28)21-15-26-19(14-24-22(26)13-20(21)31-4)16-6-5-7-17(12-16)25-34(29,30)18-8-10-32-11-9-18/h5-7,12-15,18,25H,8-11H2,1-4H3
InChIKeyASKCCURSYMYPEW-UHFFFAOYSA-N
XLogP3.50
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide (CID 178093984) is N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide is COc1cc2ncc(-c3cccc(NS(=O)(=O)C4CCOCC4)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide?
The InChIKey is ASKCCURSYMYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c1-23(2,3)33(27,28)21-15-26-19(14-24-22(26)13-20(21)31-4)16-6-5-7-17(12-16)25-34(29,30)18-8-10-32-11-9-18/h5-7,12-15,18,25H,8-11H2,1-4H3.
What are the key properties of N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide?
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide has a molecular weight of 507.63 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 178093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).