N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H17BrF3NOS — CID 78970946

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3NOS/c1-19(7-9-5-12(15)21-8-9)13(20)10-3-2-4-11(6-10)14(16,17)18/h5,8,10-11H,2-4,6-7H2,1H3
InChIKeyRBPYDHKZPUHKFB-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.84
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78970946) has the molecular formula C14H17BrF3NOS and a molecular weight of 384.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78970946
Molecular FormulaC14H17BrF3NOS
Molecular Weight384.26 g/mol
Exact Mass383.02
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3NOS/c1-19(7-9-5-12(15)21-8-9)13(20)10-3-2-4-11(6-10)14(16,17)18/h5,8,10-11H,2-4,6-7H2,1H3
InChIKeyRBPYDHKZPUHKFB-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705
(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
N-[(5-bromothiophen-3-yl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 54984169
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
CID 103872749
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79543923
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 78971404
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022
N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119742244
cis-(1R,3S)-3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319508

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78970946) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(Cc1csc(Br)c1)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RBPYDHKZPUHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NOS/c1-19(7-9-5-12(15)21-8-9)13(20)10-3-2-4-11(6-10)14(16,17)18/h5,8,10-11H,2-4,6-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78970946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).