ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate

C19H21F2NO3S — CID 51133715

IUPACethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(F)c(F)c1)N(C)C(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C19H21F2NO3S/c1-5-15-11(3)9-16(26-15)18(23)22(4)17(19(24)25-6-2)12-7-8-13(20)14(21)10-12/h7-10,17H,5-6H2,1-4H3
InChIKeyMXCKXXWSBSOLFS-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.27
Rot. Bonds6

About ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate

ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate (PubChem CID 51133715) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate
PubChem CID51133715
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Nameethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate
SMILESCCOC(=O)C(c1ccc(F)c(F)c1)N(C)C(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C19H21F2NO3S/c1-5-15-11(3)9-16(26-15)18(23)22(4)17(19(24)25-6-2)12-7-8-13(20)14(21)10-12/h7-10,17H,5-6H2,1-4H3
InChIKeyMXCKXXWSBSOLFS-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate with MolForge

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Related Compounds

SR8278
CID 53393127
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
Phenacyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2999256
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4310744
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-benzamidoacetate
CID 8246087
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 3116656
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 8409732
Ethyl 3-(4-fluorobenzyl)-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinecarboxylate
CID 45192756
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-(4-ethyl-phenyl)-2-oxo-ethyl ester
CID 3158563
[2-(cyclohexylamino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 7439216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate (CID 51133715) is ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate is CCOC(=O)C(c1ccc(F)c(F)c1)N(C)C(=O)c1cc(C)c(CC)s1.
What is the InChIKey of ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate?
The InChIKey is MXCKXXWSBSOLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-5-15-11(3)9-16(26-15)18(23)22(4)17(19(24)25-6-2)12-7-8-13(20)14(21)10-12/h7-10,17H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate?
ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate has a molecular weight of 381.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-difluorophenyl)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 51133715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).