[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C17H18FNO3S — CID 18192441

IUPAC[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FNO3S/c1-3-11(2)19-16(20)10-22-17(21)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyOHEUGLYTUUCXIJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.63
Rot. Bonds6

About [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 18192441) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID18192441
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCCC(C)NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FNO3S/c1-3-11(2)19-16(20)10-22-17(21)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyOHEUGLYTUUCXIJ-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712845
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712486
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192454
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 30968052
[2-(butan-2-ylamino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 46818452
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513978
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46645492
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 46815655
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 18192441) is [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is CCC(C)NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is OHEUGLYTUUCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-3-11(2)19-16(20)10-22-17(21)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 18192441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).