2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide

C30H30FN3O5S — CID 66663979

About 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 66663979) has the molecular formula C30H30FN3O5S and a molecular weight of 563.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide
• PubChem CID: 66663979
• Molecular Formula: C30H30FN3O5S
• Molecular Weight: 563.65 g/mol
• Exact Mass: 563.19
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide
• SMILES: C=C[C@H](CCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C(=C)C)OCc1ccccc1
• InChI: InChI=1S/C30H30FN3O5S/c1-5-23(38-18-20-9-7-6-8-10-20)15-16-40(36,37)34-28-24(19(2)3)17-25-26(29(35)32-4)27(39-30(25)33-28)21-11-13-22(31)14-12-21/h5-14,17,23H,1-2,15-16,18H2,3-4H3,(H,32,35)(H,33,34)/t23-/m1/s1
• InChIKey: FXPLJRNDAKRXLC-HSZRJFAPSA-N
• XLogP: 5.93
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.65
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide (CID 66663979) is 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide is C=C[C@H](CCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C(=C)C)OCc1ccccc1.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide?

The InChIKey is FXPLJRNDAKRXLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H30FN3O5S/c1-5-23(38-18-20-9-7-6-8-10-20)15-16-40(36,37)34-28-24(19(2)3)17-25-26(29(35)32-4)27(39-30(25)33-28)21-11-13-22(31)14-12-21/h5-14,17,23H,1-2,15-16,18H2,3-4H3,(H,32,35)(H,33,34)/t23-/m1/s1.

What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 563.65 g/mol, XLogP of 5.93, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66663979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).