1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea

C17H21FN4O5S — CID 174705462

IUPAC1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea
SMILESCOc1cc(NC(=O)NS(=O)(=O)N(c2ccc(F)cc2)C(C)C)nc(OC)c1
InChIInChI=1S/C17H21FN4O5S/c1-11(2)22(13-7-5-12(18)6-8-13)28(24,25)21-17(23)20-15-9-14(26-3)10-16(19-15)27-4/h5-11H,1-4H3,(H2,19,20,21,23)
InChIKeyHYSQFNOLUJPDIL-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.52
Rot. Bonds7

About 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea

1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea (PubChem CID 174705462) has the molecular formula C17H21FN4O5S and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea.

Molecular Properties

Compound Name1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea
PubChem CID174705462
Molecular FormulaC17H21FN4O5S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea
SMILESCOc1cc(NC(=O)NS(=O)(=O)N(c2ccc(F)cc2)C(C)C)nc(OC)c1
InChIInChI=1S/C17H21FN4O5S/c1-11(2)22(13-7-5-12(18)6-8-13)28(24,25)21-17(23)20-15-9-14(26-3)10-16(19-15)27-4/h5-11H,1-4H3,(H2,19,20,21,23)
InChIKeyHYSQFNOLUJPDIL-UHFFFAOYSA-N
XLogP2.52
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea?
The IUPAC name of 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea (CID 174705462) is 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea.
What is the SMILES notation for 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea?
The canonical SMILES for 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea is COc1cc(NC(=O)NS(=O)(=O)N(c2ccc(F)cc2)C(C)C)nc(OC)c1.
What is the InChIKey of 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea?
The InChIKey is HYSQFNOLUJPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O5S/c1-11(2)22(13-7-5-12(18)6-8-13)28(24,25)21-17(23)20-15-9-14(26-3)10-16(19-15)27-4/h5-11H,1-4H3,(H2,19,20,21,23).
What are the key properties of 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea?
1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea has a molecular weight of 412.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-2-pyridinyl)-3-[(4-fluorophenyl)-propan-2-ylsulfamoyl]urea is sourced from PubChem (CID 174705462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).