4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide

C25H29F3N4O3S — CID 135282320

IUPAC4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(COc2ncc(-c3ccnc(C)n3)cc2C)(CC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N4O3S/c1-16(2)13-24(25(26,27)28,32-36(33,34)21-8-6-17(3)7-9-21)15-35-23-18(4)12-20(14-30-23)22-10-11-29-19(5)31-22/h6-12,14,16,32H,13,15H2,1-5H3
InChIKeyVQTSUAUUBDBIPE-UHFFFAOYSA-N
MW522.59 g/mol
LogP5.17
Rot. Bonds9

About 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide

4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide (PubChem CID 135282320) has the molecular formula C25H29F3N4O3S and a molecular weight of 522.59 g/mol. Its IUPAC name is 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide
PubChem CID135282320
Molecular FormulaC25H29F3N4O3S
Molecular Weight522.59 g/mol
Exact Mass522.19
IUPAC Name4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(COc2ncc(-c3ccnc(C)n3)cc2C)(CC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N4O3S/c1-16(2)13-24(25(26,27)28,32-36(33,34)21-8-6-17(3)7-9-21)15-35-23-18(4)12-20(14-30-23)22-10-11-29-19(5)31-22/h6-12,14,16,32H,13,15H2,1-5H3
InChIKeyVQTSUAUUBDBIPE-UHFFFAOYSA-N
XLogP5.17
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide (CID 135282320) is 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(COc2ncc(-c3ccnc(C)n3)cc2C)(CC(C)C)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide?
The InChIKey is VQTSUAUUBDBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3S/c1-16(2)13-24(25(26,27)28,32-36(33,34)21-8-6-17(3)7-9-21)15-35-23-18(4)12-20(14-30-23)22-10-11-29-19(5)31-22/h6-12,14,16,32H,13,15H2,1-5H3.
What are the key properties of 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide?
4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide has a molecular weight of 522.59 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1,1,1-trifluoro-4-methyl-2-[[3-methyl-5-(2-methylpyrimidin-4-yl)-2-pyridinyl]oxymethyl]pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 135282320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).