N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H18F3N3O2S — CID 71894903

IUPACN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H18F3N3O2S/c1-11-2-3-12(16(25)22-10-18(19,20)21)8-14(11)23-17(26)24-6-4-15-13(9-24)5-7-27-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZLHKHJTUZHOOCZ-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.94
Rot. Bonds3

About N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 71894903) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID71894903
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC NameN-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCc2sccc2C1
InChIInChI=1S/C18H18F3N3O2S/c1-11-2-3-12(16(25)22-10-18(19,20)21)8-14(11)23-17(26)24-6-4-15-13(9-24)5-7-27-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZLHKHJTUZHOOCZ-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 86994889
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylanilino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 112818346
N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4,4,4-trifluorobutylamino)ethanone
CID 115518288

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 71894903) is N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCc2sccc2C1.
What is the InChIKey of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ZLHKHJTUZHOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-11-2-3-12(16(25)22-10-18(19,20)21)8-14(11)23-17(26)24-6-4-15-13(9-24)5-7-27-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 71894903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).