2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide

C22H21F3N4O4S — CID 117077390

IUPAC2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(NC(=O)Cc2ccc(OC)cc2)ncc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O4S/c1-26-34(31,32)19-6-4-3-5-17(19)28-18-12-20(27-13-16(18)22(23,24)25)29-21(30)11-14-7-9-15(33-2)10-8-14/h3-10,12-13,26H,11H2,1-2H3,(H2,27,28,29,30)
InChIKeyVAMYAYYNFYKWNP-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.94
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide

2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 117077390) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID117077390
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC Name2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(NC(=O)Cc2ccc(OC)cc2)ncc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O4S/c1-26-34(31,32)19-6-4-3-5-17(19)28-18-12-20(27-13-16(18)22(23,24)25)29-21(30)11-14-7-9-15(33-2)10-8-14/h3-10,12-13,26H,11H2,1-2H3,(H2,27,28,29,30)
InChIKeyVAMYAYYNFYKWNP-UHFFFAOYSA-N
XLogP3.94
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 117077390) is 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide is CNS(=O)(=O)c1ccccc1Nc1cc(NC(=O)Cc2ccc(OC)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is VAMYAYYNFYKWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4S/c1-26-34(31,32)19-6-4-3-5-17(19)28-18-12-20(27-13-16(18)22(23,24)25)29-21(30)11-14-7-9-15(33-2)10-8-14/h3-10,12-13,26H,11H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 494.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[2-(methylsulfamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 117077390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).