2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

C14H14ClF3N2O2S — CID 24761086

IUPAC2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S.ClH/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12;/h1-7,18H,8-9H2,(H,19,20);1H
InChIKeyLZIJVFZDTYKUEF-UHFFFAOYSA-N
MW366.79 g/mol
LogP3.80
Rot. Bonds6

About 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride

2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 24761086) has the molecular formula C14H14ClF3N2O2S and a molecular weight of 366.79 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID24761086
Molecular FormulaC14H14ClF3N2O2S
Molecular Weight366.79 g/mol
Exact Mass366.04
IUPAC Name2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CNCc1cccs1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2S.ClH/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12;/h1-7,18H,8-9H2,(H,19,20);1H
InChIKeyLZIJVFZDTYKUEF-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride (CID 24761086) is 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is Cl.O=C(CNCc1cccs1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is LZIJVFZDTYKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S.ClH/c15-14(16,17)21-11-5-3-10(4-6-11)19-13(20)9-18-8-12-2-1-7-22-12;/h1-7,18H,8-9H2,(H,19,20);1H.
What are the key properties of 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride?
2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 366.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 24761086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).