N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide

C19H24N4O3S — CID 135528106

About N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 135528106) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
• PubChem CID: 135528106
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
• SMILES: CCCc1cc(=O)[nH]c(SCC(=O)NCC(=O)Nc2cccc(C)c2C)n1
• InChI: InChI=1S/C19H24N4O3S/c1-4-6-14-9-16(24)23-19(21-14)27-11-18(26)20-10-17(25)22-15-8-5-7-12(2)13(15)3/h5,7-9H,4,6,10-11H2,1-3H3,(H,20,26)(H,22,25)(H,21,23,24)
• InChIKey: WBHALHJXCUNQRT-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide (CID 135528106) is N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NCC(=O)Nc2cccc(C)c2C)n1.

What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

The InChIKey is WBHALHJXCUNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-6-14-9-16(24)23-19(21-14)27-11-18(26)20-10-17(25)22-15-8-5-7-12(2)13(15)3/h5,7-9H,4,6,10-11H2,1-3H3,(H,20,26)(H,22,25)(H,21,23,24).

What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide?

N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 135528106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).