methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate

C20H16FNO4S — CID 26704872

IUPACmethyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H16FNO4S/c1-25-20(24)18-16(10-11-27-18)22-19(23)15-4-2-3-5-17(15)26-12-13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyNGAVFAPEDOSQCE-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.51
Rot. Bonds6

About methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate (PubChem CID 26704872) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
PubChem CID26704872
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC Namemethyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H16FNO4S/c1-25-20(24)18-16(10-11-27-18)22-19(23)15-4-2-3-5-17(15)26-12-13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyNGAVFAPEDOSQCE-UHFFFAOYSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
2-[(4-fluorophenyl)methoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 24627289
2-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]-N-methylbenzamide
CID 16566015
N-(2-amino-2-methylpropyl)-2-[(4-fluorophenyl)methoxy]benzamide;hydrochloride
CID 119626985
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate (CID 26704872) is methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate?
The InChIKey is NGAVFAPEDOSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-25-20(24)18-16(10-11-27-18)22-19(23)15-4-2-3-5-17(15)26-12-13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 26704872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).