(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide

C26H24F4N2O2S2 — CID 142836964

IUPAC(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)[C@@H]1CCCC1C(=O)N1CCCc2c(F)cc(C(F)(F)F)cc21
InChIInChI=1S/C26H24F4N2O2S2/c27-20-12-15(26(28,29)30)13-21-19(20)6-2-10-32(21)25(34)18-5-1-4-17(18)24(33)31-14-16-8-9-23(36-16)22-7-3-11-35-22/h3,7-9,11-13,17-18H,1-2,4-6,10,14H2,(H,31,33)/t17-,18?/m1/s1
InChIKeySWZBLERVMIJEIP-QNSVNVJESA-N
MW536.62 g/mol
LogP6.65
Rot. Bonds5

About (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide

(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 142836964) has the molecular formula C26H24F4N2O2S2 and a molecular weight of 536.62 g/mol. Its IUPAC name is (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID142836964
Molecular FormulaC26H24F4N2O2S2
Molecular Weight536.62 g/mol
Exact Mass536.12
IUPAC Name(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)[C@@H]1CCCC1C(=O)N1CCCc2c(F)cc(C(F)(F)F)cc21
InChIInChI=1S/C26H24F4N2O2S2/c27-20-12-15(26(28,29)30)13-21-19(20)6-2-10-32(21)25(34)18-5-1-4-17(18)24(33)31-14-16-8-9-23(36-16)22-7-3-11-35-22/h3,7-9,11-13,17-18H,1-2,4-6,10,14H2,(H,31,33)/t17-,18?/m1/s1
InChIKeySWZBLERVMIJEIP-QNSVNVJESA-N
XLogP6.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
CID 75009717
(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837225
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
2,6-dinitro-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 4129604
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
(1R,2R,6S)-2-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]-6-(4-thiophen-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 172618552
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N-[(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680358
N-[(5-phenylthiophen-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110292509
1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
(4aR,5R)-3-cyclopentyl-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 99728873

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide (CID 142836964) is (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide is O=C(NCc1ccc(-c2cccs2)s1)[C@@H]1CCCC1C(=O)N1CCCc2c(F)cc(C(F)(F)F)cc21.
What is the InChIKey of (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is SWZBLERVMIJEIP-QNSVNVJESA-N. The full InChI is InChI=1S/C26H24F4N2O2S2/c27-20-12-15(26(28,29)30)13-21-19(20)6-2-10-32(21)25(34)18-5-1-4-17(18)24(33)31-14-16-8-9-23(36-16)22-7-3-11-35-22/h3,7-9,11-13,17-18H,1-2,4-6,10,14H2,(H,31,33)/t17-,18?/m1/s1.
What are the key properties of (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide?
(1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 142836964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).