N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide

C20H18F3N3O4S2 — CID 166752318

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 166752318) has the molecular formula C20H18F3N3O4S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide
• PubChem CID: 166752318
• Molecular Formula: C20H18F3N3O4S2
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.07
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide
• SMILES: COc1ncc(NC(=O)c2sccc2C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C20H18F3N3O4S2/c1-11-5-4-6-12(2)16(11)26-32(28,29)15-9-13(10-24-19(15)30-3)25-18(27)17-14(7-8-31-17)20(21,22)23/h4-10,26H,1-3H3,(H,25,27)
• InChIKey: KGDUXHRBDRNRBB-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide?

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide (CID 166752318) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide?

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide is COc1ncc(NC(=O)c2sccc2C(F)(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C.

What is the InChIKey of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide?

The InChIKey is KGDUXHRBDRNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S2/c1-11-5-4-6-12(2)16(11)26-32(28,29)15-9-13(10-24-19(15)30-3)25-18(27)17-14(7-8-31-17)20(21,22)23/h4-10,26H,1-3H3,(H,25,27).

What are the key properties of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide?

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 166752318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).