2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C14H13F3N2OS — CID 43174821

IUPAC2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N
InChIInChI=1S/C14H13F3N2OS/c1-19(2)13(20)11-10(7-21-12(11)18)8-3-5-9(6-4-8)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyFZDZONWHVJFIMQ-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.72
Rot. Bonds2

About 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide

2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 43174821) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID43174821
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N
InChIInChI=1S/C14H13F3N2OS/c1-19(2)13(20)11-10(7-21-12(11)18)8-3-5-9(6-4-8)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyFZDZONWHVJFIMQ-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
CID 65354727
2-amino-4-(4-chloro-3-methylphenyl)-N,N-dimethylthiophene-3-carboxamide
CID 98646581
[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(3,4-dichlorophenyl)methanone
CID 70691104
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
CID 82056632
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
2-[(3-methylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 25226135
2-[(dimethylamino)methyl]-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 91445016
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
3-amino-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide
CID 58736589
2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide
CID 43805517
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 114748580

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 43174821) is 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide is CN(C)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is FZDZONWHVJFIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-19(2)13(20)11-10(7-21-12(11)18)8-3-5-9(6-4-8)14(15,16)17/h3-7H,18H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 43174821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).