N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C17H16F3N3O3S — CID 48524436

IUPACN-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H16F3N3O3S/c1-10(24)21-12-6-5-11(17(18,19)20)8-13(12)22-15(25)9-23(2)16(26)14-4-3-7-27-14/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYVTLIUQMFATDND-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.44
Rot. Bonds5

About N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 48524436) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID48524436
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H16F3N3O3S/c1-10(24)21-12-6-5-11(17(18,19)20)8-13(12)22-15(25)9-23(2)16(26)14-4-3-7-27-14/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYVTLIUQMFATDND-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55606291
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide
CID 18112770
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 48524260
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 48524436) is N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YVTLIUQMFATDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-10(24)21-12-6-5-11(17(18,19)20)8-13(12)22-15(25)9-23(2)16(26)14-4-3-7-27-14/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-acetamido-5-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 48524436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).