[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

C16H17NO4S — CID 2337971

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(C)s1
InChIInChI=1S/C16H17NO4S/c1-11-7-8-14(22-11)16(19)21-10-15(18)17-9-12-5-3-4-6-13(12)20-2/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyUSBWFUSWNRNVRC-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.54
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2337971) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2337971
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(C)s1
InChIInChI=1S/C16H17NO4S/c1-11-7-8-14(22-11)16(19)21-10-15(18)17-9-12-5-3-4-6-13(12)20-2/h3-8H,9-10H2,1-2H3,(H,17,18)
InChIKeyUSBWFUSWNRNVRC-UHFFFAOYSA-N
XLogP2.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2337971) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1ccc(C)s1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is USBWFUSWNRNVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-7-8-14(22-11)16(19)21-10-15(18)17-9-12-5-3-4-6-13(12)20-2/h3-8H,9-10H2,1-2H3,(H,17,18).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2337971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).