N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

C23H17F3N4O2S — CID 67125593

IUPACN-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C23H17F3N4O2S/c1-12-3-5-14(9-16(12)23(24,25)26)20(31)29-15-6-4-13(2)17(10-15)30-21(32)19-11-18-22(33-19)28-8-7-27-18/h3-11H,1-2H3,(H,29,31)(H,30,32)
InChIKeyKRFMVWNZDICDHA-UHFFFAOYSA-N
MW470.48 g/mol
LogP5.83
Rot. Bonds4

About N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide

N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 67125593) has the molecular formula C23H17F3N4O2S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID67125593
Molecular FormulaC23H17F3N4O2S
Molecular Weight470.48 g/mol
Exact Mass470.10
IUPAC NameN-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C23H17F3N4O2S/c1-12-3-5-14(9-16(12)23(24,25)26)20(31)29-15-6-4-13(2)17(10-15)30-21(32)19-11-18-22(33-19)28-8-7-27-18/h3-11H,1-2H3,(H,29,31)(H,30,32)
InChIKeyKRFMVWNZDICDHA-UHFFFAOYSA-N
XLogP5.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 67125593) is N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1NC(=O)c1cc2nccnc2s1.
What is the InChIKey of N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is KRFMVWNZDICDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2S/c1-12-3-5-14(9-16(12)23(24,25)26)20(31)29-15-6-4-13(2)17(10-15)30-21(32)19-11-18-22(33-19)28-8-7-27-18/h3-11H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide?
N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 67125593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).