N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide

C23H23F3N2OS2 — CID 75009717

IUPACN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)C1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2OS2/c24-23(25,26)16-5-1-4-15(12-16)13-27-19-7-2-6-18(19)22(29)28-14-17-9-10-21(31-17)20-8-3-11-30-20/h1,3-5,8-12,18-19,27H,2,6-7,13-14H2,(H,28,29)
InChIKeyACYGUQIXRVGQAO-UHFFFAOYSA-N
MW464.58 g/mol
LogP6.07
Rot. Bonds7

About N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide

N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide (PubChem CID 75009717) has the molecular formula C23H23F3N2OS2 and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
PubChem CID75009717
Molecular FormulaC23H23F3N2OS2
Molecular Weight464.58 g/mol
Exact Mass464.12
IUPAC NameN-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(-c2cccs2)s1)C1CCCC1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2OS2/c24-23(25,26)16-5-1-4-15(12-16)13-27-19-7-2-6-18(19)22(29)28-14-17-9-10-21(31-17)20-8-3-11-30-20/h1,3-5,8-12,18-19,27H,2,6-7,13-14H2,(H,28,29)
InChIKeyACYGUQIXRVGQAO-UHFFFAOYSA-N
XLogP6.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide with MolForge

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Related Compounds

(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837225
(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
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
1-thiophen-2-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133210632
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 103701066
N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262006
N-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]cyclobutanecarboxamide
CID 53156123
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide (CID 75009717) is N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide is O=C(NCc1ccc(-c2cccs2)s1)C1CCCC1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The InChIKey is ACYGUQIXRVGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2OS2/c24-23(25,26)16-5-1-4-15(12-16)13-27-19-7-2-6-18(19)22(29)28-14-17-9-10-21(31-17)20-8-3-11-30-20/h1,3-5,8-12,18-19,27H,2,6-7,13-14H2,(H,28,29).
What are the key properties of N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide has a molecular weight of 464.58 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75009717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).