N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide

C19H22F3N3OS — CID 16931411

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(C(CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1
InChIInChI=1S/C19H22F3N3OS/c1-24-7-9-25(10-8-24)17(15-6-11-27-13-15)12-23-18(26)14-2-4-16(5-3-14)19(20,21)22/h2-6,11,13,17H,7-10,12H2,1H3,(H,23,26)
InChIKeyHIXDXDJFXNVKGC-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 16931411) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
PubChem CID16931411
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(C(CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1
InChIInChI=1S/C19H22F3N3OS/c1-24-7-9-25(10-8-24)17(15-6-11-27-13-15)12-23-18(26)14-2-4-16(5-3-14)19(20,21)22/h2-6,11,13,17H,7-10,12H2,1H3,(H,23,26)
InChIKeyHIXDXDJFXNVKGC-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide (CID 16931411) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide is CN1CCN(C(CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HIXDXDJFXNVKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-24-7-9-25(10-8-24)17(15-6-11-27-13-15)12-23-18(26)14-2-4-16(5-3-14)19(20,21)22/h2-6,11,13,17H,7-10,12H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 397.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16931411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).