methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate

C15H17NO3S — CID 68667736

IUPACmethyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C15H17NO3S/c1-18-15(17)9-16-8-12-2-4-14(5-3-12)19-10-13-6-7-20-11-13/h2-7,11,16H,8-10H2,1H3
InChIKeyHHJGUBCFVMBMLT-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.59
Rot. Bonds7

About methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate

methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate (PubChem CID 68667736) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate
PubChem CID68667736
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate
SMILESCOC(=O)CNCc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C15H17NO3S/c1-18-15(17)9-16-8-12-2-4-14(5-3-12)19-10-13-6-7-20-11-13/h2-7,11,16H,8-10H2,1H3
InChIKeyHHJGUBCFVMBMLT-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
methyl (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 170966374
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
tert-butyl N-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]carbamate
CID 107239520
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate?
The IUPAC name of methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate (CID 68667736) is methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate is COC(=O)CNCc1ccc(OCc2ccsc2)cc1.
What is the InChIKey of methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate?
The InChIKey is HHJGUBCFVMBMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-15(17)9-16-8-12-2-4-14(5-3-12)19-10-13-6-7-20-11-13/h2-7,11,16H,8-10H2,1H3.
What are the key properties of methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate?
methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate has a molecular weight of 291.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate is sourced from PubChem (CID 68667736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).