[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate

C17H19NO6S — CID 2364065

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCc2cccs2)c(OC)c1OC
InChIInChI=1S/C17H19NO6S/c1-21-13-7-6-12(15(22-2)16(13)23-3)17(20)24-10-14(19)18-9-11-5-4-8-25-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyYBPJTRZMOYOHQW-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.25
Rot. Bonds8

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate (PubChem CID 2364065) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
PubChem CID2364065
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCc2cccs2)c(OC)c1OC
InChIInChI=1S/C17H19NO6S/c1-21-13-7-6-12(15(22-2)16(13)23-3)17(20)24-10-14(19)18-9-11-5-4-8-25-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyYBPJTRZMOYOHQW-UHFFFAOYSA-N
XLogP2.25
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate 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

[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2105289
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2364828
Thiophene-2-carboxylic acid 1-[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-ethyl ester
CID 3220261
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4438642
[2-[5-(Acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxybenzoate
CID 8431942
4-(Phenylcarbonylamino)thiolan-3-yl 3,4,5-trimethoxybenzoate
CID 3157333
3,4,5-trimethoxy-N-[2-(2-thienyl)ethyl]benzamide
CID 27770210
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2527216
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2563334
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2409587
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2436958
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612480

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate (CID 2364065) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)NCc2cccs2)c(OC)c1OC.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is YBPJTRZMOYOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-21-13-7-6-12(15(22-2)16(13)23-3)17(20)24-10-14(19)18-9-11-5-4-8-25-11/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 365.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 2364065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).