6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide

C26H24F3N3OS — CID 170249189

IUPAC6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCCC(Nc4cc(C(F)(F)F)nc5ccccc45)C3)sc2c1
InChIInChI=1S/C26H24F3N3OS/c1-15-9-10-16-12-23(34-22(16)11-15)25(33)31-18-6-4-5-17(13-18)30-21-14-24(26(27,28)29)32-20-8-3-2-7-19(20)21/h2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,30,32)(H,31,33)/t17?,18-/m1/s1
InChIKeyKUGHWIZGNPYLPL-QRWMCTBCSA-N
MW483.56 g/mol
LogP6.93
Rot. Bonds4

About 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide

6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 170249189) has the molecular formula C26H24F3N3OS and a molecular weight of 483.56 g/mol. Its IUPAC name is 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID170249189
Molecular FormulaC26H24F3N3OS
Molecular Weight483.56 g/mol
Exact Mass483.16
IUPAC Name6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCCC(Nc4cc(C(F)(F)F)nc5ccccc45)C3)sc2c1
InChIInChI=1S/C26H24F3N3OS/c1-15-9-10-16-12-23(34-22(16)11-15)25(33)31-18-6-4-5-17(13-18)30-21-14-24(26(27,28)29)32-20-8-3-2-7-19(20)21/h2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,30,32)(H,31,33)/t17?,18-/m1/s1
InChIKeyKUGHWIZGNPYLPL-QRWMCTBCSA-N
XLogP6.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

2-(methylamino)-N-[(1R,3S)-3-[[6-methyl-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229761
2-(dimethylamino)-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229648
3,4-dichloro-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-thiazole-5-carboxamide
CID 163229545
N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 163228892
2-benzyl-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]prop-2-enamide
CID 163228978
5-bromo-2-methylsulfanyl-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrimidine-4-carboxamide
CID 163229265
3-methyl-4-oxo-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinazoline-7-carboxamide
CID 163229161
1-(4-chlorophenyl)-5-methyl-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-4-carboxamide
CID 163229845
cis-(1S,3R)-1-N-[2-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,3-diamine
CID 163229626
(1R)-1-N-[2-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,3-diamine
CID 175434661
3-methyl-4-oxo-N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 163229551
N-[3-[2-oxo-2-[[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]amino]ethyl]phenyl]benzamide
CID 163229649

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide (CID 170249189) is 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide is Cc1ccc2cc(C(=O)N[C@@H]3CCCC(Nc4cc(C(F)(F)F)nc5ccccc45)C3)sc2c1.
What is the InChIKey of 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is KUGHWIZGNPYLPL-QRWMCTBCSA-N. The full InChI is InChI=1S/C26H24F3N3OS/c1-15-9-10-16-12-23(34-22(16)11-15)25(33)31-18-6-4-5-17(13-18)30-21-14-24(26(27,28)29)32-20-8-3-2-7-19(20)21/h2-3,7-12,14,17-18H,4-6,13H2,1H3,(H,30,32)(H,31,33)/t17?,18-/m1/s1.
What are the key properties of 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide?
6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 6.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 170249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).