dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

C16H14FNO5S — CID 1221956

IUPACdimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC)c1C
InChIInChI=1S/C16H14FNO5S/c1-8-11(15(20)22-2)14(24-12(8)16(21)23-3)18-13(19)9-5-4-6-10(17)7-9/h4-7H,1-3H3,(H,18,19)
InChIKeyOAKHVBFZXFHFKI-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.02
Rot. Bonds4

About dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1221956) has the molecular formula C16H14FNO5S and a molecular weight of 351.36 g/mol. Its IUPAC name is dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID1221956
Molecular FormulaC16H14FNO5S
Molecular Weight351.36 g/mol
Exact Mass351.06
IUPAC Namedimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC)c1C
InChIInChI=1S/C16H14FNO5S/c1-8-11(15(20)22-2)14(24-12(8)16(21)23-3)18-13(19)9-5-4-6-10(17)7-9/h4-7H,1-3H3,(H,18,19)
InChIKeyOAKHVBFZXFHFKI-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064913
dimethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 3332536
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
ethyl 5-(butylcarbamoyl)-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17062248
methyl 5-[(2-fluorophenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1015054
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
ethyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17063749
dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 44918808
4-O-ethyl 2-O-methyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 23822165
methyl 4-methyl-2-[(3-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17061330
methyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1130983

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 1221956) is dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2cccc(F)c2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is OAKHVBFZXFHFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO5S/c1-8-11(15(20)22-2)14(24-12(8)16(21)23-3)18-13(19)9-5-4-6-10(17)7-9/h4-7H,1-3H3,(H,18,19).
What are the key properties of dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1221956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).