2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide

C19H16ClN3O5S2 — CID 20878381

About 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide

2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 20878381) has the molecular formula C19H16ClN3O5S2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 20878381
• Molecular Formula: C19H16ClN3O5S2
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.02
• IUPAC Name: 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
• SMILES: COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1Cl
• InChI: InChI=1S/C19H16ClN3O5S2/c1-28-15-8-7-13(9-14(15)20)30(26,27)16-10-21-19(23-18(16)25)29-11-17(24)22-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25)
• InChIKey: FYUZAMWCNDSDTF-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 118.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.94
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide (CID 20878381) is 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1Cl.

What is the InChIKey of 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is FYUZAMWCNDSDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5S2/c1-28-15-8-7-13(9-14(15)20)30(26,27)16-10-21-19(23-18(16)25)29-11-17(24)22-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25).

What are the key properties of 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide?

2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 465.94 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 20878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).