N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide

C24H28ClN3O5S2 — CID 24961076

About N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide (PubChem CID 24961076) has the molecular formula C24H28ClN3O5S2 and a molecular weight of 538.09 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide
• PubChem CID: 24961076
• Molecular Formula: C24H28ClN3O5S2
• Molecular Weight: 538.09 g/mol
• Exact Mass: 537.12
• IUPAC Name: N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide
• SMILES: Cc1cc(S(=O)(=O)c2cc(C)n(C(CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)c(=O)c2)c(C)o1
• InChI: InChI=1S/C24H28ClN3O5S2/c1-14-9-18(35(31,32)20-10-15(2)33-16(20)3)12-22(29)28(14)19(11-17-7-5-4-6-8-17)23(30)27-24-26-13-21(25)34-24/h9-10,12-13,17,19H,4-8,11H2,1-3H3,(H,26,27,30)
• InChIKey: QWVLRKAHYUVZKB-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 111.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.09
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide?

The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide (CID 24961076) is N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide.

What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide?

The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide is Cc1cc(S(=O)(=O)c2cc(C)n(C(CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)c(=O)c2)c(C)o1.

What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide?

The InChIKey is QWVLRKAHYUVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5S2/c1-14-9-18(35(31,32)20-10-15(2)33-16(20)3)12-22(29)28(14)19(11-17-7-5-4-6-8-17)23(30)27-24-26-13-21(25)34-24/h9-10,12-13,17,19H,4-8,11H2,1-3H3,(H,26,27,30).

What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide?

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide has a molecular weight of 538.09 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide is sourced from PubChem (CID 24961076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).