5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C24H24F3N3O2S2 — CID 118112500

IUPAC5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NCc4ccccc4C(F)(F)F)s3)CC2)s1
InChIInChI=1S/C24H24F3N3O2S2/c1-16-6-8-21(33-16)23(32)30-12-10-29(11-13-30)15-18-7-9-20(34-18)22(31)28-14-17-4-2-3-5-19(17)24(25,26)27/h2-9H,10-15H2,1H3,(H,28,31)
InChIKeySAGDONHDQOXVJT-UHFFFAOYSA-N
MW507.60 g/mol
LogP5.02
Rot. Bonds6

About 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112500) has the molecular formula C24H24F3N3O2S2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112500
Molecular FormulaC24H24F3N3O2S2
Molecular Weight507.60 g/mol
Exact Mass507.13
IUPAC Name5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NCc4ccccc4C(F)(F)F)s3)CC2)s1
InChIInChI=1S/C24H24F3N3O2S2/c1-16-6-8-21(33-16)23(32)30-12-10-29(11-13-30)15-18-7-9-20(34-18)22(31)28-14-17-4-2-3-5-19(17)24(25,26)27/h2-9H,10-15H2,1H3,(H,28,31)
InChIKeySAGDONHDQOXVJT-UHFFFAOYSA-N
XLogP5.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
US9776991, Example 3
CID 118112541
US9776991, Example 36
CID 118112542
US9776991, Example 18
CID 118112561
US9776991, Example 31
CID 118112815
US9776991, Example 6
CID 135236076
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
1-Benzyl-4-[(5-ethylthieno[2,3-b]thien-2-yl)carbonyl]piperazine
CID 1285074
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
CID 1436831
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 118112500) is 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NCc4ccccc4C(F)(F)F)s3)CC2)s1.
What is the InChIKey of 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is SAGDONHDQOXVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S2/c1-16-6-8-21(33-16)23(32)30-12-10-29(11-13-30)15-18-7-9-20(34-18)22(31)28-14-17-4-2-3-5-19(17)24(25,26)27/h2-9H,10-15H2,1H3,(H,28,31).
What are the key properties of 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).