N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid

C44H34F6N10O5S2 — CID 158731201

About N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 158731201) has the molecular formula C44H34F6N10O5S2 and a molecular weight of 960.94 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid
• PubChem CID: 158731201
• Molecular Formula: C44H34F6N10O5S2
• Molecular Weight: 960.94 g/mol
• Exact Mass: 960.21
• IUPAC Name: N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid
• SMILES: Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N.Nc1c(C(=O)O)sc2nccnc12
• InChI: InChI=1S/C22H16F3N5O2S.C15H13F3N2O.C7H5N3O2S/c1-11-5-6-14(29-19(31)12-3-2-4-13(9-12)22(23,24)25)10-15(11)30-20(32)18-16(26)17-21(33-18)28-8-7-27-17;1-9-5-6-12(8-13(9)19)20-14(21)10-3-2-4-11(7-10)15(16,17)18;8-3-4-6(10-2-1-9-4)13-5(3)7(11)12/h2-10H,26H2,1H3,(H,29,31)(H,30,32);2-8H,19H2,1H3,(H,20,21);1-2H,8H2,(H,11,12)
• InChIKey: ILCTWMDESSKPDK-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 254.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	960.94
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid?

The IUPAC name of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid (CID 158731201) is N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid.

What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid?

The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1sc2nccnc2c1N.Nc1c(C(=O)O)sc2nccnc12.

What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid?

The InChIKey is ILCTWMDESSKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S.C15H13F3N2O.C7H5N3O2S/c1-11-5-6-14(29-19(31)12-3-2-4-13(9-12)22(23,24)25)10-15(11)30-20(32)18-16(26)17-21(33-18)28-8-7-27-17;1-9-5-6-12(8-13(9)19)20-14(21)10-3-2-4-11(7-10)15(16,17)18;8-3-4-6(10-2-1-9-4)13-5(3)7(11)12/h2-10H,26H2,1H3,(H,29,31)(H,30,32);2-8H,19H2,1H3,(H,20,21);1-2H,8H2,(H,11,12).

What are the key properties of N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid?

N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 960.94 g/mol, XLogP of 9.93, 7 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamide;7-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;7-aminothieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 158731201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).