N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C17H12F3N3O2S — CID 24857909

IUPACN-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2nccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3
InChIKeyRLNCISDDCDFAHS-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.71
Rot. Bonds4

About N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 24857909) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID24857909
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2nccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3
InChIKeyRLNCISDDCDFAHS-UHFFFAOYSA-N
XLogP3.71
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 24857909) is N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is RLNCISDDCDFAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinoxalin-6-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 24857909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).