N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

C22H33N5O5S — CID 30137077

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 30137077) has the molecular formula C22H33N5O5S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
• PubChem CID: 30137077
• Molecular Formula: C22H33N5O5S
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
• SMILES: CC(C)CN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H33N5O5S/c1-13(2)11-26(18-19(23)27(12-14(3)4)22(30)24-20(18)28)21(29)16-7-9-17(10-8-16)33(31,32)25-15(5)6/h7-10,13-15,25H,11-12,23H2,1-6H3,(H,24,28,30)
• InChIKey: AGXKAIISPRMHTP-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 147.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 30137077) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)CN(C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?

The InChIKey is AGXKAIISPRMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O5S/c1-13(2)11-26(18-19(23)27(12-14(3)4)22(30)24-20(18)28)21(29)16-7-9-17(10-8-16)33(31,32)25-15(5)6/h7-10,13-15,25H,11-12,23H2,1-6H3,(H,24,28,30).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 479.60 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 30137077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).