5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C18H20F3N3O2S — CID 118112508

IUPAC5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)26-15-4-2-1-3-13(15)11-23-17(25)16-6-5-14(27-16)12-24-9-7-22-8-10-24/h1-6,22H,7-12H2,(H,23,25)
InChIKeySIWNDRZDGFKMCC-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.98
Rot. Bonds6

About 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112508) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112508
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)26-15-4-2-1-3-13(15)11-23-17(25)16-6-5-14(27-16)12-24-9-7-22-8-10-24/h1-6,22H,7-12H2,(H,23,25)
InChIKeySIWNDRZDGFKMCC-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112642
5-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112519
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833
N-[(2,4-dichlorophenyl)methyl]-5-(piperazin-1-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 118112572
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
5-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112613
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 119697678
2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 124740802
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 118112508) is 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCNCC2)s1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is SIWNDRZDGFKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)26-15-4-2-1-3-13(15)11-23-17(25)16-6-5-14(27-16)12-24-9-7-22-8-10-24/h1-6,22H,7-12H2,(H,23,25).
What are the key properties of 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).