5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C22H26F3N3O4S — CID 118112531

IUPAC5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCO[C@H](C)C(=O)N1CCN(Cc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)s2)CC1
InChIInChI=1S/C22H26F3N3O4S/c1-15(31-2)21(30)28-11-9-27(10-12-28)14-17-7-8-19(33-17)20(29)26-13-16-5-3-4-6-18(16)32-22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyFDMIUSHWRLTNBS-OAHLLOKOSA-N
MW485.53 g/mol
LogP3.26
Rot. Bonds8

About 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112531) has the molecular formula C22H26F3N3O4S and a molecular weight of 485.53 g/mol. Its IUPAC name is 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112531
Molecular FormulaC22H26F3N3O4S
Molecular Weight485.53 g/mol
Exact Mass485.16
IUPAC Name5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCO[C@H](C)C(=O)N1CCN(Cc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)s2)CC1
InChIInChI=1S/C22H26F3N3O4S/c1-15(31-2)21(30)28-11-9-27(10-12-28)14-17-7-8-19(33-17)20(29)26-13-16-5-3-4-6-18(16)32-22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyFDMIUSHWRLTNBS-OAHLLOKOSA-N
XLogP3.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
N,N-Diethyl-5-(spiro[chromene-2,4''-piperidine]-4-yl)thiophene-2-carboxamide
CID 44254058
US9776991, Example 19
CID 118112505
US9776991, Example 17
CID 118112570
US9776991, Example 32
CID 118112613
US9776991, Example 54
CID 118112675
US9776991, Example 37
CID 118112773
US9776991, Example 35
CID 118112922
US9776991, Example 38
CID 118113055
1-[(3-Methylphenoxy)acetyl]-4-(2-thienylcarbonyl)piperazine
CID 742500

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 118112531) is 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is CO[C@H](C)C(=O)N1CCN(Cc2ccc(C(=O)NCc3ccccc3OC(F)(F)F)s2)CC1.
What is the InChIKey of 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is FDMIUSHWRLTNBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26F3N3O4S/c1-15(31-2)21(30)28-11-9-27(10-12-28)14-17-7-8-19(33-17)20(29)26-13-16-5-3-4-6-18(16)32-22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 485.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2R)-2-methoxypropanoyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).