(2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide

C23H25N3O5S2 — CID 92667354

About (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide

(2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide (PubChem CID 92667354) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide
• PubChem CID: 92667354
• Molecular Formula: C23H25N3O5S2
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.12
• IUPAC Name: (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide
• SMILES: CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)[nH]1)C(=O)Nc1ccc(OC)cc1
• InChI: InChI=1S/C23H25N3O5S2/c1-5-19(21(27)25-16-7-9-17(31-4)10-8-16)32-23-24-13-20(22(28)26-23)33(29,30)18-11-6-14(2)15(3)12-18/h6-13,19H,5H2,1-4H3,(H,25,27)(H,24,26,28)/t19-/m1/s1
• InChIKey: AWUQWUNDARPYGO-LJQANCHMSA-N
• XLogP: 3.74
• TPSA: 118.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide (CID 92667354) is (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide.

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

The canonical SMILES for (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide is CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)[nH]1)C(=O)Nc1ccc(OC)cc1.

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

The InChIKey is AWUQWUNDARPYGO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-5-19(21(27)25-16-7-9-17(31-4)10-8-16)32-23-24-13-20(22(28)26-23)33(29,30)18-11-6-14(2)15(3)12-18/h6-13,19H,5H2,1-4H3,(H,25,27)(H,24,26,28)/t19-/m1/s1.

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

(2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide has a molecular weight of 487.60 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(3,4-dimethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 92667354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).