[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C18H19NO5S — CID 2428766

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-12-5-7-15(23-2)13(10-12)19-17(21)11-24-18(22)8-6-14(20)16-4-3-9-25-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,19,21)
InChIKeyOSVDTPDGCAYQCZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.21
Rot. Bonds8

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2428766) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2428766
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO5S/c1-12-5-7-15(23-2)13(10-12)19-17(21)11-24-18(22)8-6-14(20)16-4-3-9-25-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,19,21)
InChIKeyOSVDTPDGCAYQCZ-UHFFFAOYSA-N
XLogP3.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate 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-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2428766) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is COc1ccc(C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is OSVDTPDGCAYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12-5-7-15(23-2)13(10-12)19-17(21)11-24-18(22)8-6-14(20)16-4-3-9-25-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,19,21).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 361.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).