N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen

C24H29FN6O5S — CID 142359393

About N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen

N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen (PubChem CID 142359393) has the molecular formula C24H29FN6O5S and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen
• PubChem CID: 142359393
• Molecular Formula: C24H29FN6O5S
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.19
• IUPAC Name: N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen
• SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)C2CCCC2)nnc1-c1ccc(C)o1.Fc1cncnc1.[H][H]
• InChI: InChI=1S/C20H24N4O5S.C4H3FN2.H2/c1-13-11-12-17(29-13)19-21-22-20(23-30(25,26)14-7-4-5-8-14)24(19)18-15(27-2)9-6-10-16(18)28-3;5-4-1-6-3-7-2-4;/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,22,23);1-3H;1H
• InChIKey: KWXWARHFTLJQLD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 134.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen?

The IUPAC name of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen (CID 142359393) is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen.

What is the SMILES notation for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen?

The canonical SMILES for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen is COc1cccc(OC)c1-n1c(NS(=O)(=O)C2CCCC2)nnc1-c1ccc(C)o1.Fc1cncnc1.[H][H].

What is the InChIKey of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen?

The InChIKey is KWXWARHFTLJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S.C4H3FN2.H2/c1-13-11-12-17(29-13)19-21-22-20(23-30(25,26)14-7-4-5-8-14)24(19)18-15(27-2)9-6-10-16(18)28-3;5-4-1-6-3-7-2-4;/h6,9-12,14H,4-5,7-8H2,1-3H3,(H,22,23);1-3H;1H.

What are the key properties of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen?

N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen has a molecular weight of 532.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]cyclopentanesulfonamide;5-fluoropyrimidine;molecular hydrogen is sourced from PubChem (CID 142359393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).