methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate

C18H22N2O3S — CID 51091360

IUPACmethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)NCCc1cccs1)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-23-18(22)14-20(12-15-6-3-2-4-7-15)13-17(21)19-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-14H2,1H3,(H,19,21)
InChIKeyMORHANAZMHRJLY-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.08
Rot. Bonds9

About methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate

methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate (PubChem CID 51091360) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
PubChem CID51091360
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namemethyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)NCCc1cccs1)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-23-18(22)14-20(12-15-6-3-2-4-7-15)13-17(21)19-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-14H2,1H3,(H,19,21)
InChIKeyMORHANAZMHRJLY-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]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

methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-[ethyl(3-hydroxypropyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115666347
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
2-[bis(thiophen-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8801393
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate (CID 51091360) is methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate is COC(=O)CN(CC(=O)NCCc1cccs1)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate?
The InChIKey is MORHANAZMHRJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-18(22)14-20(12-15-6-3-2-4-7-15)13-17(21)19-10-9-16-8-5-11-24-16/h2-8,11H,9-10,12-14H2,1H3,(H,19,21).
What are the key properties of methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate?
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate has a molecular weight of 346.45 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate is sourced from PubChem (CID 51091360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).