methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate

C16H19NO3S — CID 43724941

IUPACmethyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1OC)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-19-14-7-4-3-6-12(14)11-17-13(10-16(18)20-2)15-8-5-9-21-15/h3-9,13,17H,10-11H2,1-2H3
InChIKeyUIBUEQQCKCEJDK-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.15
Rot. Bonds7

About methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate

methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate (PubChem CID 43724941) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
PubChem CID43724941
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namemethyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCc1ccccc1OC)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-19-14-7-4-3-6-12(14)11-17-13(10-16(18)20-2)15-8-5-9-21-15/h3-9,13,17H,10-11H2,1-2H3
InChIKeyUIBUEQQCKCEJDK-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724977
methyl 3-[(2-bromophenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724993
methyl 3-[(2-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 104696216
methyl 3-[(2-hydroxy-3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 115951352
methyl 3-[(3,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43787009
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 43725038
3-[(5-chloro-2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 61037533
3-[(2-ethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 62392453
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-[3-(2,3-dimethoxyphenyl)propanoylamino]-3-thiophen-2-ylpropanoate
CID 47019238
methyl 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 43725034
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate (CID 43724941) is methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NCc1ccccc1OC)c1cccs1.
What is the InChIKey of methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is UIBUEQQCKCEJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-14-7-4-3-6-12(14)11-17-13(10-16(18)20-2)15-8-5-9-21-15/h3-9,13,17H,10-11H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 305.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).