2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C18H19F3N2OS — CID 97258354

IUPAC2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)c(C)s1
InChIInChI=1S/C18H19F3N2OS/c1-11-9-14(12(2)25-11)17(24)23(10-18(19,20)21)15-7-3-5-13-6-4-8-22-16(13)15/h4,6,8-9,15H,3,5,7,10H2,1-2H3/t15-/m1/s1
InChIKeyXZPYRTPGXVHBRZ-OAHLLOKOSA-N
MW368.42 g/mol
LogP4.84
Rot. Bonds3

About 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 97258354) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID97258354
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)c(C)s1
InChIInChI=1S/C18H19F3N2OS/c1-11-9-14(12(2)25-11)17(24)23(10-18(19,20)21)15-7-3-5-13-6-4-8-22-16(13)15/h4,6,8-9,15H,3,5,7,10H2,1-2H3/t15-/m1/s1
InChIKeyXZPYRTPGXVHBRZ-OAHLLOKOSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide with MolForge

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Related Compounds

N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
CID 126807154
N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
CID 124863244
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide
CID 143191526
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
CID 124874416

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 97258354) is 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is Cc1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is XZPYRTPGXVHBRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-11-9-14(12(2)25-11)17(24)23(10-18(19,20)21)15-7-3-5-13-6-4-8-22-16(13)15/h4,6,8-9,15H,3,5,7,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 97258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).