N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H13FN2O2S — CID 9439622

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C14H13FN2O2S/c1-17(14(19)12-6-3-7-20-12)9-13(18)16-11-5-2-4-10(15)8-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyVVJSGJQHLFCNMS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 9439622) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID9439622
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccs1
InChIInChI=1S/C14H13FN2O2S/c1-17(14(19)12-6-3-7-20-12)9-13(18)16-11-5-2-4-10(15)8-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyVVJSGJQHLFCNMS-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-methyl-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]thiophene-2-carboxamide
CID 55654517
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 9250544

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 9439622) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccs1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VVJSGJQHLFCNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-17(14(19)12-6-3-7-20-12)9-13(18)16-11-5-2-4-10(15)8-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 9439622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).