methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate

C19H14FNO3S — CID 3669658

IUPACmethyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)17-15(11-16(25-17)12-5-3-2-4-6-12)21-18(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKeyABMAAVFKHFHLDP-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.59
Rot. Bonds4

About methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate

methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate (PubChem CID 3669658) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
PubChem CID3669658
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Namemethyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)17-15(11-16(25-17)12-5-3-2-4-6-12)21-18(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKeyABMAAVFKHFHLDP-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate (CID 3669658) is methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is ABMAAVFKHFHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-19(23)17-15(11-16(25-17)12-5-3-2-4-6-12)21-18(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22).
What are the key properties of methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate?
methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 3669658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).