N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C24H18F3N3O2S — CID 55779329

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C24H18F3N3O2S/c1-14-17-12-13-18(24(25,26)27)29-23(17)33-20(14)22(32)30-19(15-8-4-2-5-9-15)21(31)28-16-10-6-3-7-11-16/h2-13,19H,1H3,(H,28,31)(H,30,32)
InChIKeyVVEZCLHGBOFXOQ-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.73
Rot. Bonds5

About N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 55779329) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID55779329
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C24H18F3N3O2S/c1-14-17-12-13-18(24(25,26)27)29-23(17)33-20(14)22(32)30-19(15-8-4-2-5-9-15)21(31)28-16-10-6-3-7-11-16/h2-13,19H,1H3,(H,28,31)(H,30,32)
InChIKeyVVEZCLHGBOFXOQ-UHFFFAOYSA-N
XLogP5.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
N-(2-anilino-2-oxo-1-phenylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55779226
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 112833600
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55653699
N-(4-aminocyclohexyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 119478747

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 55779329) is N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VVEZCLHGBOFXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c1-14-17-12-13-18(24(25,26)27)29-23(17)33-20(14)22(32)30-19(15-8-4-2-5-9-15)21(31)28-16-10-6-3-7-11-16/h2-13,19H,1H3,(H,28,31)(H,30,32).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 55779329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).