2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide

C23H31N3O6S2 — CID 76587211

About 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide

2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide (PubChem CID 76587211) has the molecular formula C23H31N3O6S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
• PubChem CID: 76587211
• Molecular Formula: C23H31N3O6S2
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.17
• IUPAC Name: 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
• SMILES: COC(C)(C)c1cnc(NC(=O)C(CC2CCOCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)s1
• InChI: InChI=1S/C23H31N3O6S2/c1-23(2,31-3)19-14-24-22(33-19)25-21(28)18(12-15-7-10-32-11-8-15)26-9-6-17(13-20(26)27)34(29,30)16-4-5-16/h6,9,13-16,18H,4-5,7-8,10-12H2,1-3H3,(H,24,25,28)
• InChIKey: JILKZJQRSZPCIW-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 116.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide?

The IUPAC name of 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide (CID 76587211) is 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide.

What is the SMILES notation for 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide?

The canonical SMILES for 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide is COC(C)(C)c1cnc(NC(=O)C(CC2CCOCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)s1.

What is the InChIKey of 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide?

The InChIKey is JILKZJQRSZPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S2/c1-23(2,31-3)19-14-24-22(33-19)25-21(28)18(12-15-7-10-32-11-8-15)26-9-6-17(13-20(26)27)34(29,30)16-4-5-16/h6,9,13-16,18H,4-5,7-8,10-12H2,1-3H3,(H,24,25,28).

What are the key properties of 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide?

2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide has a molecular weight of 509.65 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 76587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).