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

C22H24F3N3O4S — CID 118112773

IUPAC5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)C3(O)CC3)CC2)s1
InChIInChI=1S/C22H24F3N3O4S/c23-22(24,25)32-17-4-2-1-3-15(17)13-26-19(29)18-6-5-16(33-18)14-27-9-11-28(12-10-27)20(30)21(31)7-8-21/h1-6,31H,7-14H2,(H,26,29)
InChIKeyKFNLVFRKCBLWML-UHFFFAOYSA-N
MW483.51 g/mol
LogP2.75
Rot. Bonds7

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

5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112773) has the molecular formula C22H24F3N3O4S and a molecular weight of 483.51 g/mol. Its IUPAC name is 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112773
Molecular FormulaC22H24F3N3O4S
Molecular Weight483.51 g/mol
Exact Mass483.14
IUPAC Name5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)C3(O)CC3)CC2)s1
InChIInChI=1S/C22H24F3N3O4S/c23-22(24,25)32-17-4-2-1-3-15(17)13-26-19(29)18-6-5-16(33-18)14-27-9-11-28(12-10-27)20(30)21(31)7-8-21/h1-6,31H,7-14H2,(H,26,29)
InChIKeyKFNLVFRKCBLWML-UHFFFAOYSA-N
XLogP2.75
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 35
CID 118112922
US9776991, Example 38
CID 118113055
2-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3244176
US9776991, Example 83
CID 118112498
US9776991, Example 86
CID 118112503
US9776991, Example 44
CID 118112514
US9776991, Example 156
CID 118112519

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 118112773) is 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCN(C(=O)C3(O)CC3)CC2)s1.
What is the InChIKey of 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is KFNLVFRKCBLWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O4S/c23-22(24,25)32-17-4-2-1-3-15(17)13-26-19(29)18-6-5-16(33-18)14-27-9-11-28(12-10-27)20(30)21(31)7-8-21/h1-6,31H,7-14H2,(H,26,29).
What are the key properties of 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 483.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).