ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate

C17H18FNO3S — CID 132549673

IUPACethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c1-2-22-17(21)15-12(9-11-23-15)4-3-10-19-16(20)13-5-7-14(18)8-6-13/h5-9,11H,2-4,10H2,1H3,(H,19,20)
InChIKeyZRAGDNOYVFSFPD-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.43
Rot. Bonds7

About ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate

ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate (PubChem CID 132549673) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate
PubChem CID132549673
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Nameethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c1-2-22-17(21)15-12(9-11-23-15)4-3-10-19-16(20)13-5-7-14(18)8-6-13/h5-9,11H,2-4,10H2,1H3,(H,19,20)
InChIKeyZRAGDNOYVFSFPD-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate 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

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
ethyl [4-[3-[[2-(4-fluorophenyl)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932260
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
3-(carbamoylamino)propyl 3-ethylthiophene-2-carboxylate
CID 71987902
ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate
CID 177290717
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 5-(diethylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1222296
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate (CID 132549673) is ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate is CCOC(=O)c1sccc1CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate?
The InChIKey is ZRAGDNOYVFSFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-2-22-17(21)15-12(9-11-23-15)4-3-10-19-16(20)13-5-7-14(18)8-6-13/h5-9,11H,2-4,10H2,1H3,(H,19,20).
What are the key properties of ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate?
ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-fluorobenzoyl)amino]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 132549673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).