methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate

C19H16FNO5S — CID 19413105

IUPACmethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C19H16FNO5S/c1-11-9-15(19(23)24-2)18(27-11)21-17(22)16-8-7-14(26-16)10-25-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyPAXNFFGEXUCEFY-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.41
Rot. Bonds6

About methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate

methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 19413105) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID19413105
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Namemethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C19H16FNO5S/c1-11-9-15(19(23)24-2)18(27-11)21-17(22)16-8-7-14(26-16)10-25-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyPAXNFFGEXUCEFY-UHFFFAOYSA-N
XLogP4.41
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19455480
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
methyl 2-[[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406610
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413797
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 78772620
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 5039654
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate (CID 19413105) is methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is PAXNFFGEXUCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c1-11-9-15(19(23)24-2)18(27-11)21-17(22)16-8-7-14(26-16)10-25-13-5-3-12(20)4-6-13/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate?
methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 389.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 19413105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).