N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C16H17F3N2O2S — CID 119582143

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C16H17F3N2O2S/c1-10(9-20)21(2)15(22)14-8-7-13(24-14)11-3-5-12(6-4-11)23-16(17,18)19/h3-8,10H,9,20H2,1-2H3
InChIKeyAUFVKFQKELARBB-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.73
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 119582143) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID119582143
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C16H17F3N2O2S/c1-10(9-20)21(2)15(22)14-8-7-13(24-14)11-3-5-12(6-4-11)23-16(17,18)19/h3-8,10H,9,20H2,1-2H3
InChIKeyAUFVKFQKELARBB-UHFFFAOYSA-N
XLogP3.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 119585098
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119517623
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
CID 120818353
N-(1-aminopropan-2-yl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 112701403
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119582974
5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide
CID 137345621
5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide
CID 46082678

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 119582143) is N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is CC(CN)N(C)C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is AUFVKFQKELARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-10(9-20)21(2)15(22)14-8-7-13(24-14)11-3-5-12(6-4-11)23-16(17,18)19/h3-8,10H,9,20H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119582143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).