(2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen

C23H35N5O6S — CID 145191613

About (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen

(2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen (PubChem CID 145191613) has the molecular formula C23H35N5O6S and a molecular weight of 509.63 g/mol. Its IUPAC name is (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen
• PubChem CID: 145191613
• Molecular Formula: C23H35N5O6S
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.23
• IUPAC Name: (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen
• SMILES: COc1cccc(-c2nnc(NS(=O)(=O)[C@H](C)[C@H](O)C(C)(C)C)n2-c2c(OC)cccc2OC)n1.[H][H].[H][H]
• InChI: InChI=1S/C23H31N5O6S.2H2/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6;;/h8-14,20,29H,1-7H3,(H,26,27);2*1H/t14-,20+;;/m1../s1
• InChIKey: HOKPLRZYHHDCQI-OXMVISPPSA-N
• XLogP: 3.38
• TPSA: 137.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen?

The IUPAC name of (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen (CID 145191613) is (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen.

What is the SMILES notation for (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen?

The canonical SMILES for (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen is COc1cccc(-c2nnc(NS(=O)(=O)[C@H](C)[C@H](O)C(C)(C)C)n2-c2c(OC)cccc2OC)n1.[H][H].[H][H].

What is the InChIKey of (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen?

The InChIKey is HOKPLRZYHHDCQI-OXMVISPPSA-N. The full InChI is InChI=1S/C23H31N5O6S.2H2/c1-14(20(29)23(2,3)4)35(30,31)27-22-26-25-21(15-10-8-13-18(24-15)34-7)28(22)19-16(32-5)11-9-12-17(19)33-6;;/h8-14,20,29H,1-7H3,(H,26,27);2*1H/t14-,20+;;/m1../s1.

What are the key properties of (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen?

(2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen has a molecular weight of 509.63 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethylpentane-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 145191613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).