(3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide

C23H30N6O7S — CID 134543283

About (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide

(3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 134543283) has the molecular formula C23H30N6O7S and a molecular weight of 534.60 g/mol. Its IUPAC name is (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 134543283
• Molecular Formula: C23H30N6O7S
• Molecular Weight: 534.60 g/mol
• Exact Mass: 534.19
• IUPAC Name: (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide
• SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H]2C[C@@H](O)CN(C(=O)N(C)C)C2)nnc1-c1ccc(C)o1
• InChI: InChI=1S/C23H30N6O7S/c1-14-9-10-19(36-14)21-24-25-22(29(21)20-17(34-4)7-6-8-18(20)35-5)26-37(32,33)16-11-15(30)12-28(13-16)23(31)27(2)3/h6-10,15-16,30H,11-13H2,1-5H3,(H,25,26)/t15-,16+/m1/s1
• InChIKey: DBJKMNOPNYXBFT-CVEARBPZSA-N
• XLogP: 1.71
• TPSA: 152.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.60
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide (CID 134543283) is (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide is COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H]2C[C@@H](O)CN(C(=O)N(C)C)C2)nnc1-c1ccc(C)o1.

What is the InChIKey of (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is DBJKMNOPNYXBFT-CVEARBPZSA-N. The full InChI is InChI=1S/C23H30N6O7S/c1-14-9-10-19(36-14)21-24-25-22(29(21)20-17(34-4)7-6-8-18(20)35-5)26-37(32,33)16-11-15(30)12-28(13-16)23(31)27(2)3/h6-10,15-16,30H,11-13H2,1-5H3,(H,25,26)/t15-,16+/m1/s1.

What are the key properties of (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide?

(3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 534.60 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-5-hydroxy-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 134543283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).