N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C20H19ClN4O5S2 — CID 135485207

About N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135485207) has the molecular formula C20H19ClN4O5S2 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
• PubChem CID: 135485207
• Molecular Formula: C20H19ClN4O5S2
• Molecular Weight: 494.98 g/mol
• Exact Mass: 494.05
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CSc1nc(NS(=O)(=O)c2ccc(C)cc2)cc(=O)[nH]1
• InChI: InChI=1S/C20H19ClN4O5S2/c1-12-3-6-14(7-4-12)32(28,29)25-17-10-18(26)24-20(23-17)31-11-19(27)22-15-9-13(21)5-8-16(15)30-2/h3-10H,11H2,1-2H3,(H,22,27)(H2,23,24,25,26)
• InChIKey: AQSNYERDZSRLDP-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 130.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.98
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 135485207) is N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(NS(=O)(=O)c2ccc(C)cc2)cc(=O)[nH]1.

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

The InChIKey is AQSNYERDZSRLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S2/c1-12-3-6-14(7-4-12)32(28,29)25-17-10-18(26)24-20(23-17)31-11-19(27)22-15-9-13(21)5-8-16(15)30-2/h3-10H,11H2,1-2H3,(H,22,27)(H2,23,24,25,26).

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

N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 494.98 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135485207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).