ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate

C19H23FN2O4S — CID 18127205

IUPACethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1C
InChIInChI=1S/C19H23FN2O4S/c1-5-26-19(24)18-12(2)8-17(27-18)21-16(23)11-22(3)10-13-6-7-15(25-4)14(20)9-13/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyUBNWJEFAQCAHJF-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.45
Rot. Bonds8

About ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 18127205) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID18127205
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Nameethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1C
InChIInChI=1S/C19H23FN2O4S/c1-5-26-19(24)18-12(2)8-17(27-18)21-16(23)11-22(3)10-13-6-7-15(25-4)14(20)9-13/h6-9H,5,10-11H2,1-4H3,(H,21,23)
InChIKeyUBNWJEFAQCAHJF-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431404
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
ethyl (E)-3-[4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]phenyl]prop-2-enoate
CID 18127201
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-(4,5-dimethyl-2-nitrophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431761
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 55372315

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate (CID 18127205) is ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CN(C)Cc2ccc(OC)c(F)c2)cc1C.
What is the InChIKey of ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is UBNWJEFAQCAHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-5-26-19(24)18-12(2)8-17(27-18)21-16(23)11-22(3)10-13-6-7-15(25-4)14(20)9-13/h6-9H,5,10-11H2,1-4H3,(H,21,23).
What are the key properties of ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 18127205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).