[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

C14H12FNO3S — CID 18076313

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-9-4-5-10(15)7-11(9)16-13(17)8-19-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyMJOQGLRNGSMSIK-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.99
Rot. Bonds4

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 18076313) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID18076313
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C14H12FNO3S/c1-9-4-5-10(15)7-11(9)16-13(17)8-19-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyMJOQGLRNGSMSIK-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123459
[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18199701
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 35588003
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2497620
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 733915
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 18076313) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is Cc1ccc(F)cc1NC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is MJOQGLRNGSMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-9-4-5-10(15)7-11(9)16-13(17)8-19-14(18)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 18076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).