(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate

C14H12FNO3S — CID 18192454

IUPAC(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O
InChIInChI=1S/C14H12FNO3S/c1-8(13(16)17)19-14(18)12-7-6-11(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H2,16,17)
InChIKeyLQVJTAHDCFGZHR-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.58
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate

(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 18192454) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID18192454
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCC(OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O
InChIInChI=1S/C14H12FNO3S/c1-8(13(16)17)19-14(18)12-7-6-11(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H2,16,17)
InChIKeyLQVJTAHDCFGZHR-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 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 ≤ 52.58
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
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059894
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059999
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059987
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46625982
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
[(2S)-1-amino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523873
N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56517770
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8942013

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 18192454) is (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate is CC(OC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is LQVJTAHDCFGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-8(13(16)17)19-14(18)12-7-6-11(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H2,16,17).
What are the key properties of (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate?
(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 18192454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).