N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide

C24H23N5O3S2 — CID 166752279

About N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide

N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide (PubChem CID 166752279) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide
• PubChem CID: 166752279
• Molecular Formula: C24H23N5O3S2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.12
• IUPAC Name: N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide
• SMILES: C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1)c1csc(-c2cccnc2)n1
• InChI: InChI=1S/C24H23N5O3S2/c1-15-7-5-8-16(2)22(15)29-34(30,31)21-11-19(13-26-23(21)32-4)27-17(3)20-14-33-24(28-20)18-9-6-10-25-12-18/h5-14,27,29H,3H2,1-2,4H3
• InChIKey: LKMBBDARDHYJQY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 106.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide (CID 166752279) is N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide is C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1)c1csc(-c2cccnc2)n1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide?

The InChIKey is LKMBBDARDHYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c1-15-7-5-8-16(2)22(15)29-34(30,31)21-11-19(13-26-23(21)32-4)27-17(3)20-14-33-24(28-20)18-9-6-10-25-12-18/h5-14,27,29H,3H2,1-2,4H3.

What are the key properties of N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide?

N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide has a molecular weight of 493.61 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-methoxy-5-[1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethenylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 166752279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).