(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

C24H32N10O4S — CID 134523386

About (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 134523386) has the molecular formula C24H32N10O4S and a molecular weight of 556.65 g/mol. Its IUPAC name is (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

• Compound Name: (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
• PubChem CID: 134523386
• Molecular Formula: C24H32N10O4S
• Molecular Weight: 556.65 g/mol
• Exact Mass: 556.23
• IUPAC Name: (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
• SMILES: COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c3ncc(C)cn3)n2[C@H](C)c2ncnn2C)n1
• InChI: InChI=1S/C24H32N10O4S/c1-14(2)38-20(21-25-11-15(3)12-26-21)17(5)39(35,36)32-24-31-30-23(18-9-8-10-19(29-18)37-7)34(24)16(4)22-27-13-28-33(22)6/h8-14,16-17,20H,1-7H3,(H,31,32)/t16-,17+,20-/m1/s1
• InChIKey: CUKQJKSIOFAXCU-FUHIMQAGSA-N
• XLogP: 2.48
• TPSA: 164.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.65
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The IUPAC name of (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (CID 134523386) is (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

What is the SMILES notation for (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The canonical SMILES for (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c3ncc(C)cn3)n2[C@H](C)c2ncnn2C)n1.

What is the InChIKey of (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

The InChIKey is CUKQJKSIOFAXCU-FUHIMQAGSA-N. The full InChI is InChI=1S/C24H32N10O4S/c1-14(2)38-20(21-25-11-15(3)12-26-21)17(5)39(35,36)32-24-31-30-23(18-9-8-10-19(29-18)37-7)34(24)16(4)22-27-13-28-33(22)6/h8-14,16-17,20H,1-7H3,(H,31,32)/t16-,17+,20-/m1/s1.

What are the key properties of (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?

(1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 556.65 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S)-N-[5-(6-methoxy-2-pyridinyl)-4-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 134523386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).