1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea

C22H27FN4O5S — CID 40968629

About 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea

1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea (PubChem CID 40968629) has the molecular formula C22H27FN4O5S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
• PubChem CID: 40968629
• Molecular Formula: C22H27FN4O5S
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.17
• IUPAC Name: 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
• SMILES: O=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1
• InChI: InChI=1S/C22H27FN4O5S/c23-16-3-5-17(6-4-16)25-22(28)26-21-14-19(33(29,30)27-9-12-31-13-10-27)7-8-20(21)24-15-18-2-1-11-32-18/h3-8,14,18,24H,1-2,9-13,15H2,(H2,25,26,28)/t18-/m1/s1
• InChIKey: QRFQMJZQDBXLGL-GOSISDBHSA-N
• XLogP: 3.08
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea?

The IUPAC name of 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea (CID 40968629) is 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea.

What is the SMILES notation for 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea?

The canonical SMILES for 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1.

What is the InChIKey of 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea?

The InChIKey is QRFQMJZQDBXLGL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27FN4O5S/c23-16-3-5-17(6-4-16)25-22(28)26-21-14-19(33(29,30)27-9-12-31-13-10-27)7-8-20(21)24-15-18-2-1-11-32-18/h3-8,14,18,24H,1-2,9-13,15H2,(H2,25,26,28)/t18-/m1/s1.

What are the key properties of 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea?

1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea has a molecular weight of 478.55 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea is sourced from PubChem (CID 40968629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).