2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide

C17H23F3N2O2S — CID 46530699

IUPAC2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2S/c1-10-8-12(21-15(24)16(2,3)4)25-13(10)14(23)22-7-5-6-11(9-22)17(18,19)20/h8,11H,5-7,9H2,1-4H3,(H,21,24)
InChIKeyCUGZVUDWUFZQTC-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.46
Rot. Bonds2

About 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide (PubChem CID 46530699) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide
PubChem CID46530699
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2S/c1-10-8-12(21-15(24)16(2,3)4)25-13(10)14(23)22-7-5-6-11(9-22)17(18,19)20/h8,11H,5-7,9H2,1-4H3,(H,21,24)
InChIKeyCUGZVUDWUFZQTC-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-acetyl-1,4-diazepane-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 94601655
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 120818643
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120818642
2,2-dimethyl-N-[4-methyl-5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]propanamide
CID 86941352
5-(2,2-dimethylpropanoylamino)-N-[(2-hydroxycyclopentyl)methyl]-3-methylthiophene-2-carboxamide
CID 111471133
ethyl 3-methyl-5-[[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 41380519
2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
CID 51113101
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 30455801
N-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 24613715
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 37165642

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide (CID 46530699) is 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide?
The InChIKey is CUGZVUDWUFZQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c1-10-8-12(21-15(24)16(2,3)4)25-13(10)14(23)22-7-5-6-11(9-22)17(18,19)20/h8,11H,5-7,9H2,1-4H3,(H,21,24).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide has a molecular weight of 376.44 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 46530699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).