methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate

C16H21NO3S — CID 103244693

IUPACmethyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC(c2cccs2)C(C)C)o1
InChIInChI=1S/C16H21NO3S/c1-10(2)15(14-6-5-9-21-14)17-11(3)12-7-8-13(20-12)16(18)19-4/h5-11,15,17H,1-4H3
InChIKeyUQJLCIGTTHDDFA-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.18
Rot. Bonds6

About methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate (PubChem CID 103244693) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
PubChem CID103244693
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Namemethyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NC(c2cccs2)C(C)C)o1
InChIInChI=1S/C16H21NO3S/c1-10(2)15(14-6-5-9-21-14)17-11(3)12-7-8-13(20-12)16(18)19-4/h5-11,15,17H,1-4H3
InChIKeyUQJLCIGTTHDDFA-UHFFFAOYSA-N
XLogP4.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate (CID 103244693) is methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NC(c2cccs2)C(C)C)o1.
What is the InChIKey of methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is UQJLCIGTTHDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-10(2)15(14-6-5-9-21-14)17-11(3)12-7-8-13(20-12)16(18)19-4/h5-11,15,17H,1-4H3.
What are the key properties of methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 307.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103244693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).