ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate

C14H14FNO3S — CID 78969683

IUPACethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H14FNO3S/c1-3-19-14(18)8(2)16-13(17)12-6-9-4-5-10(15)7-11(9)20-12/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyLKVQCTHCRUKWNH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate

ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate (PubChem CID 78969683) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
PubChem CID78969683
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Nameethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H14FNO3S/c1-3-19-14(18)8(2)16-13(17)12-6-9-4-5-10(15)7-11(9)20-12/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyLKVQCTHCRUKWNH-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
ethyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 61344226
6-fluoro-N-hex-5-yn-3-yl-1-benzothiophene-2-carboxamide
CID 115647228
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 107157762
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104472
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 81104803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate (CID 78969683) is ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate?
The InChIKey is LKVQCTHCRUKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-3-19-14(18)8(2)16-13(17)12-6-9-4-5-10(15)7-11(9)20-12/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate?
ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate has a molecular weight of 295.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 78969683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).