methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C18H18FNO5S — CID 8590050

IUPACmethyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)Cc2cccc(F)c2)sc(C)c1C
InChIInChI=1S/C18H18FNO5S/c1-10-11(2)26-17(16(10)18(23)24-3)20-14(21)9-25-15(22)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,21)
InChIKeyCXQQXIPCOUKYRF-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.02
Rot. Bonds6

About methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 8590050) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID8590050
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Namemethyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)Cc2cccc(F)c2)sc(C)c1C
InChIInChI=1S/C18H18FNO5S/c1-10-11(2)26-17(16(10)18(23)24-3)20-14(21)9-25-15(22)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,21)
InChIKeyCXQQXIPCOUKYRF-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4,5-dimethyl-2-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 2430006
methyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7791397
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
methyl 2-[[2-[2-(2-fluorophenyl)sulfanylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7676168
methyl 4,5-dimethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2506792
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
methyl 2-[[2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2658664
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
methyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7783102
ethyl 2-[[2-(3-fluorophenyl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 18102569
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
methyl 4,5-dimethyl-2-[[2-(4-methylpentanoyloxy)acetyl]amino]thiophene-3-carboxylate
CID 40577182

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 8590050) is methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)COC(=O)Cc2cccc(F)c2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is CXQQXIPCOUKYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c1-10-11(2)26-17(16(10)18(23)24-3)20-14(21)9-25-15(22)8-12-5-4-6-13(19)7-12/h4-7H,8-9H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 8590050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).