methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate

C19H14FNO4S — CID 55982604

IUPACmethyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)s1
InChIInChI=1S/C19H14FNO4S/c1-24-19(23)17-10-9-16(26-17)18(22)21-14-7-2-3-8-15(14)25-13-6-4-5-12(20)11-13/h2-11H,1H3,(H,21,22)
InChIKeyCRNVEDDWXUELIW-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.72
Rot. Bonds5

About methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate

methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate (PubChem CID 55982604) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
PubChem CID55982604
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Namemethyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)s1
InChIInChI=1S/C19H14FNO4S/c1-24-19(23)17-10-9-16(26-17)18(22)21-14-7-2-3-8-15(14)25-13-6-4-5-12(20)11-13/h2-11H,1H3,(H,21,22)
InChIKeyCRNVEDDWXUELIW-UHFFFAOYSA-N
XLogP4.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55989473
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
CID 60557163
dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
CID 10320091
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate (CID 55982604) is methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccccc2Oc2cccc(F)c2)s1.
What is the InChIKey of methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate?
The InChIKey is CRNVEDDWXUELIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c1-24-19(23)17-10-9-16(26-17)18(22)21-14-7-2-3-8-15(14)25-13-6-4-5-12(20)11-13/h2-11H,1H3,(H,21,22).
What are the key properties of methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate?
methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 55982604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).