N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C28H28N6O5S — CID 22103781

About N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 22103781) has the molecular formula C28H28N6O5S and a molecular weight of 560.64 g/mol. Its IUPAC name is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
• PubChem CID: 22103781
• Molecular Formula: C28H28N6O5S
• Molecular Weight: 560.64 g/mol
• Exact Mass: 560.18
• IUPAC Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)n(C)n1
• InChI: InChI=1S/C28H28N6O5S/c1-17-14-24(34(5)30-17)28(35)33(4)16-21-15-20(27-29-12-13-38-27)10-11-22(21)23-8-6-7-9-25(23)40(36,37)32-26-18(2)19(3)31-39-26/h6-15,32H,16H2,1-5H3
• InChIKey: XPHCVCZGNNGODS-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 136.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.64
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?

The IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 22103781) is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?

The canonical SMILES for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)n(C)n1.

What is the InChIKey of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?

The InChIKey is XPHCVCZGNNGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O5S/c1-17-14-24(34(5)30-17)28(35)33(4)16-21-15-20(27-29-12-13-38-27)10-11-22(21)23-8-6-7-9-25(23)40(36,37)32-26-18(2)19(3)31-39-26/h6-15,32H,16H2,1-5H3.

What are the key properties of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 560.64 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 22103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).