N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide

C28H26FN3O6S2 — CID 59735993

About N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide

N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide (PubChem CID 59735993) has the molecular formula C28H26FN3O6S2 and a molecular weight of 583.66 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide
• PubChem CID: 59735993
• Molecular Formula: C28H26FN3O6S2
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.12
• IUPAC Name: N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide
• SMILES: CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cn2)c1
• InChI: InChI=1S/C28H26FN3O6S2/c1-18(2)38-24-14-21(13-23(15-24)37-11-9-19-10-12-39-17-19)27(33)31-26-8-3-20(16-30-26)28(34)32-40(35,36)25-6-4-22(29)5-7-25/h3-8,10,12-18H,9,11H2,1-2H3,(H,32,34)(H,30,31,33)
• InChIKey: LBRRNDICHBPCQX-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 123.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide?

The IUPAC name of N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide (CID 59735993) is N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide is CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(F)cc3)cn2)c1.

What is the InChIKey of N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide?

The InChIKey is LBRRNDICHBPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O6S2/c1-18(2)38-24-14-21(13-23(15-24)37-11-9-19-10-12-39-17-19)27(33)31-26-8-3-20(16-30-26)28(34)32-40(35,36)25-6-4-22(29)5-7-25/h3-8,10,12-18H,9,11H2,1-2H3,(H,32,34)(H,30,31,33).

What are the key properties of N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide?

N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide has a molecular weight of 583.66 g/mol, XLogP of 5.06, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)sulfonyl-6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 59735993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).