[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C19H22N2O4S — CID 2439000

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C19H22N2O4S/c1-3-21(12-15-7-5-4-6-8-15)17(22)13-25-18(23)11-20-19(24)16-10-9-14(2)26-16/h4-10H,3,11-13H2,1-2H3,(H,20,24)
InChIKeyIPRMVGIXOAFMTM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.38
Rot. Bonds8

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2439000) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2439000
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C19H22N2O4S/c1-3-21(12-15-7-5-4-6-8-15)17(22)13-25-18(23)11-20-19(24)16-10-9-14(2)26-16/h4-10H,3,11-13H2,1-2H3,(H,20,24)
InChIKeyIPRMVGIXOAFMTM-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2439000) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is IPRMVGIXOAFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-21(12-15-7-5-4-6-8-15)17(22)13-25-18(23)11-20-19(24)16-10-9-14(2)26-16/h4-10H,3,11-13H2,1-2H3,(H,20,24).
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 374.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2439000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).