(1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide

C23H26N6O4S2 — CID 135369425

About (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide

(1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide (PubChem CID 135369425) has the molecular formula C23H26N6O4S2 and a molecular weight of 514.63 g/mol. Its IUPAC name is (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide.

Molecular Properties

• Compound Name: (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide
• PubChem CID: 135369425
• Molecular Formula: C23H26N6O4S2
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.15
• IUPAC Name: (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide
• SMILES: COc1ccccc1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2nc(C)cs2)nnc1-c1cncc(C)c1
• InChI: InChI=1S/C23H26N6O4S2/c1-14-10-17(12-24-11-14)21-26-27-23(29(21)18-8-6-7-9-19(18)32-4)28-35(30,31)16(3)20(33-5)22-25-15(2)13-34-22/h6-13,16,20H,1-5H3,(H,27,28)/t16-,20-/m0/s1
• InChIKey: RHDVMSIDRNNNOT-JXFKEZNVSA-N
• XLogP: 3.93
• TPSA: 121.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide?

The IUPAC name of (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide (CID 135369425) is (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide.

What is the SMILES notation for (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide?

The canonical SMILES for (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide is COc1ccccc1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC)c2nc(C)cs2)nnc1-c1cncc(C)c1.

What is the InChIKey of (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide?

The InChIKey is RHDVMSIDRNNNOT-JXFKEZNVSA-N. The full InChI is InChI=1S/C23H26N6O4S2/c1-14-10-17(12-24-11-14)21-26-27-23(29(21)18-8-6-7-9-19(18)32-4)28-35(30,31)16(3)20(33-5)22-25-15(2)13-34-22/h6-13,16,20H,1-5H3,(H,27,28)/t16-,20-/m0/s1.

What are the key properties of (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide?

(1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide has a molecular weight of 514.63 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S)-1-methoxy-N-[4-(2-methoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 135369425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).