N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide

C34H41N7O5S — CID 20747598

About N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide

N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide (PubChem CID 20747598) has the molecular formula C34H41N7O5S and a molecular weight of 659.81 g/mol. Its IUPAC name is N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide
• PubChem CID: 20747598
• Molecular Formula: C34H41N7O5S
• Molecular Weight: 659.81 g/mol
• Exact Mass: 659.29
• IUPAC Name: N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide
• SMILES: CCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CN(C)CCNC(C)=O)c1
• InChI: InChI=1S/C34H41N7O5S/c1-8-45-34-37-31-21(2)17-22(3)36-32(31)41(34)19-26-13-14-28(27(18-26)20-40(7)16-15-35-25(6)42)29-11-9-10-12-30(29)47(43,44)39-33-23(4)24(5)38-46-33/h9-14,17-18,39H,8,15-16,19-20H2,1-7H3,(H,35,42)
• InChIKey: QZFPFXNLMLTCHP-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 144.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.81
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide?

The IUPAC name of N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide (CID 20747598) is N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide.

What is the SMILES notation for N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide?

The canonical SMILES for N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide is CCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CN(C)CCNC(C)=O)c1.

What is the InChIKey of N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide?

The InChIKey is QZFPFXNLMLTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O5S/c1-8-45-34-37-31-21(2)17-22(3)36-32(31)41(34)19-26-13-14-28(27(18-26)20-40(7)16-15-35-25(6)42)29-11-9-10-12-30(29)47(43,44)39-33-23(4)24(5)38-46-33/h9-14,17-18,39H,8,15-16,19-20H2,1-7H3,(H,35,42).

What are the key properties of N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide?

N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide has a molecular weight of 659.81 g/mol, XLogP of 5.14, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide is sourced from PubChem (CID 20747598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).