2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide

C23H23FN2O4S — CID 53280099

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O4S/c1-17(2)30-22-11-7-6-10-21(22)25-23(27)16-26(19-8-4-3-5-9-19)31(28,29)20-14-12-18(24)13-15-20/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyROTZZXLNQGABKA-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.45
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 53280099) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID53280099
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O4S/c1-17(2)30-22-11-7-6-10-21(22)25-23(27)16-26(19-8-4-3-5-9-19)31(28,29)20-14-12-18(24)13-15-20/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyROTZZXLNQGABKA-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide (CID 53280099) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is ROTZZXLNQGABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-17(2)30-22-11-7-6-10-21(22)25-23(27)16-26(19-8-4-3-5-9-19)31(28,29)20-14-12-18(24)13-15-20/h3-15,17H,16H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 442.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 53280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).