6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide

C28H23N5O4S — CID 127041475

IUPAC6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1
InChIInChI=1S/C28H23N5O4S/c1-29-38(35,36)23-11-6-10-21(18-23)32-28-30-16-15-26(33-28)37-22-13-14-24-19(17-22)7-5-12-25(24)27(34)31-20-8-3-2-4-9-20/h2-18,29H,1H3,(H,31,34)(H,30,32,33)
InChIKeyIVQMWYVWMNUHND-UHFFFAOYSA-N
MW525.59 g/mol
LogP5.33
Rot. Bonds8

About 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide

6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide (PubChem CID 127041475) has the molecular formula C28H23N5O4S and a molecular weight of 525.59 g/mol. Its IUPAC name is 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
PubChem CID127041475
Molecular FormulaC28H23N5O4S
Molecular Weight525.59 g/mol
Exact Mass525.15
IUPAC Name6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
SMILESCNS(=O)(=O)c1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1
InChIInChI=1S/C28H23N5O4S/c1-29-38(35,36)23-11-6-10-21(18-23)32-28-30-16-15-26(33-28)37-22-13-14-24-19(17-22)7-5-12-25(24)27(34)31-20-8-3-2-4-9-20/h2-18,29H,1H3,(H,31,34)(H,30,32,33)
InChIKeyIVQMWYVWMNUHND-UHFFFAOYSA-N
XLogP5.33
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide (CID 127041475) is 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide is CNS(=O)(=O)c1cccc(Nc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)n2)c1.
What is the InChIKey of 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
The InChIKey is IVQMWYVWMNUHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4S/c1-29-38(35,36)23-11-6-10-21(18-23)32-28-30-16-15-26(33-28)37-22-13-14-24-19(17-22)7-5-12-25(24)27(34)31-20-8-3-2-4-9-20/h2-18,29H,1H3,(H,31,34)(H,30,32,33).
What are the key properties of 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide?
6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(methylsulfamoyl)anilino]pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 127041475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).