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

C34H41N7O4S — CID 10189663

About N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethyl-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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide (PubChem CID 10189663) has the molecular formula C34H41N7O4S and a molecular weight of 643.81 g/mol. Its IUPAC name is N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethyl-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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide
• PubChem CID: 10189663
• Molecular Formula: C34H41N7O4S
• Molecular Weight: 643.81 g/mol
• Exact Mass: 643.29
• IUPAC Name: N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CN(C)CCNC(C)=O)c1
• InChI: InChI=1S/C34H41N7O4S/c1-8-31-37-32-21(2)17-22(3)36-33(32)41(31)19-26-13-14-28(27(18-26)20-40(7)16-15-35-25(6)42)29-11-9-10-12-30(29)46(43,44)39-34-23(4)24(5)38-45-34/h9-14,17-18,39H,8,15-16,19-20H2,1-7H3,(H,35,42)
• InChIKey: KTYIRIYLTUYKIC-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 135.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.81
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-ethyl-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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide (CID 10189663) is N-[2-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-[(2-ethyl-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-ethyl-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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide is CCc1nc2c(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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide?

The InChIKey is KTYIRIYLTUYKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O4S/c1-8-31-37-32-21(2)17-22(3)36-33(32)41(31)19-26-13-14-28(27(18-26)20-40(7)16-15-35-25(6)42)29-11-9-10-12-30(29)46(43,44)39-34-23(4)24(5)38-45-34/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-ethyl-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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide has a molecular weight of 643.81 g/mol, XLogP of 5.30, 12 rotatable bonds, 2 hydrogen bond donors, and 9 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-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methyl-methylamino]ethyl]acetamide is sourced from PubChem (CID 10189663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).