methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate

C17H11F2NO3S — CID 30469108

IUPACmethyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc3c(F)cccc3s2)ccc1F
InChIInChI=1S/C17H11F2NO3S/c1-23-17(22)11-7-9(5-6-13(11)19)20-16(21)15-8-10-12(18)3-2-4-14(10)24-15/h2-8H,1H3,(H,20,21)
InChIKeyMGAGFLBFBQNSNC-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.22
Rot. Bonds3

About methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate

methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate (PubChem CID 30469108) has the molecular formula C17H11F2NO3S and a molecular weight of 347.34 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
PubChem CID30469108
Molecular FormulaC17H11F2NO3S
Molecular Weight347.34 g/mol
Exact Mass347.04
IUPAC Namemethyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc3c(F)cccc3s2)ccc1F
InChIInChI=1S/C17H11F2NO3S/c1-23-17(22)11-7-9(5-6-13(11)19)20-16(21)15-8-10-12(18)3-2-4-14(10)24-15/h2-8H,1H3,(H,20,21)
InChIKeyMGAGFLBFBQNSNC-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate 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

N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 30664998
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 34073469
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 169144861
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
CID 62235265
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55902337
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate (CID 30469108) is methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cc3c(F)cccc3s2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The InChIKey is MGAGFLBFBQNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3S/c1-23-17(22)11-7-9(5-6-13(11)19)20-16(21)15-8-10-12(18)3-2-4-14(10)24-15/h2-8H,1H3,(H,20,21).
What are the key properties of methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate has a molecular weight of 347.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 30469108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).