N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide

C32H31N5O4S — CID 18663195

About N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide (PubChem CID 18663195) has the molecular formula C32H31N5O4S and a molecular weight of 581.70 g/mol. Its IUPAC name is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide
• PubChem CID: 18663195
• Molecular Formula: C32H31N5O4S
• Molecular Weight: 581.70 g/mol
• Exact Mass: 581.21
• IUPAC Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide
• SMILES: Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCc2ccccc2)c1C
• InChI: InChI=1S/C32H31N5O4S/c1-22-23(2)35-41-32(22)36-42(39,40)29-13-8-7-12-28(29)27-16-15-25(31-33-18-9-19-34-31)20-26(27)21-37(3)30(38)17-14-24-10-5-4-6-11-24/h4-13,15-16,18-20,36H,14,17,21H2,1-3H3
• InChIKey: AAZHYXFHFPJHFO-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.70
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide (CID 18663195) is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide.

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

The canonical SMILES for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2CN(C)C(=O)CCc2ccccc2)c1C.

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

The InChIKey is AAZHYXFHFPJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O4S/c1-22-23(2)35-41-32(22)36-42(39,40)29-13-8-7-12-28(29)27-16-15-25(31-33-18-9-19-34-31)20-26(27)21-37(3)30(38)17-14-24-10-5-4-6-11-24/h4-13,15-16,18-20,36H,14,17,21H2,1-3H3.

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

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 581.70 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrimidin-2-ylphenyl]methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 18663195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).