(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

C22H20FN5O3S2 — CID 55938803

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (PubChem CID 55938803) has the molecular formula C22H20FN5O3S2 and a molecular weight of 485.57 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
• PubChem CID: 55938803
• Molecular Formula: C22H20FN5O3S2
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.10
• IUPAC Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
• SMILES: C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
• InChI: InChI=1S/C22H20FN5O3S2/c1-14(27-33(30,31)17-11-7-6-10-16(17)23)21(29)26-22-25-18(15-8-4-3-5-9-15)19(32-22)20-24-12-13-28(20)2/h3-14,27H,1-2H3,(H,25,26,29)/t14-/m0/s1
• InChIKey: MBQGXEHKOILZRJ-AWEZNQCLSA-N
• XLogP: 3.66
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?

The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (CID 55938803) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1.

What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?

The InChIKey is MBQGXEHKOILZRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20FN5O3S2/c1-14(27-33(30,31)17-11-7-6-10-16(17)23)21(29)26-22-25-18(15-8-4-3-5-9-15)19(32-22)20-24-12-13-28(20)2/h3-14,27H,1-2H3,(H,25,26,29)/t14-/m0/s1.

What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 485.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55938803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).