N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide

C18H19F3N2OS — CID 134806305

IUPACN-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)C1
InChIInChI=1S/C18H19F3N2OS/c1-12(24)22-17(2)10-23(11-17)9-15-6-7-16(25-15)13-4-3-5-14(8-13)18(19,20)21/h3-8H,9-11H2,1-2H3,(H,22,24)
InChIKeyJNPVYECMUMKZGS-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.14
Rot. Bonds4

About N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide

N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide (PubChem CID 134806305) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide
PubChem CID134806305
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)C1
InChIInChI=1S/C18H19F3N2OS/c1-12(24)22-17(2)10-23(11-17)9-15-6-7-16(25-15)13-4-3-5-14(8-13)18(19,20)21/h3-8H,9-11H2,1-2H3,(H,22,24)
InChIKeyJNPVYECMUMKZGS-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-2-yl)acetamide
CID 44413137
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-3-yl)acetamide
CID 44413147
2-methyl-1-(2-phenylethyl)-N-(thiophen-2-ylmethyl)azetidine-2-carboxamide
CID 49789778
1-[(2R,3R)-3-[(4-fluorophenyl)methylamino]-2-(5-methylthiophen-2-yl)piperidin-1-yl]ethanone
CID 92559442
1-[(2R,3R)-3-[(3-fluorophenyl)methylamino]-2-(5-methylthiophen-2-yl)piperidin-1-yl]ethanone
CID 92559446
N-[3-methyl-1-[[4-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]piperidin-3-yl]acetamide
CID 134804949
N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide
CID 134808923
N-benzyl-2,2,2-trifluoro-N-[(2S,3R)-2-thiophen-2-ylpiperidin-3-yl]acetamide
CID 134959602
Tert-butyl 3-[(3-thiophen-2-ylphenyl)methylamino]azetidine-1-carboxylate
CID 134789196
N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
CID 134800849

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide (CID 134806305) is N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide is CC(=O)NC1(C)CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)C1.
What is the InChIKey of N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide?
The InChIKey is JNPVYECMUMKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-12(24)22-17(2)10-23(11-17)9-15-6-7-16(25-15)13-4-3-5-14(8-13)18(19,20)21/h3-8H,9-11H2,1-2H3,(H,22,24).
What are the key properties of N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide?
N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 134806305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).