ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate

C15H23NO3S — CID 916359

IUPACethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C
InChIInChI=1S/C15H23NO3S/c1-6-19-15(18)12-11(7-9(2)3)8-20-14(12)16-13(17)10(4)5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyFVUWGQXOFSLWEE-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.72
Rot. Bonds6

About ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate

ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 916359) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID916359
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C
InChIInChI=1S/C15H23NO3S/c1-6-19-15(18)12-11(7-9(2)3)8-20-14(12)16-13(17)10(4)5/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyFVUWGQXOFSLWEE-UHFFFAOYSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-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 ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate (CID 916359) is ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate is CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C.
What is the InChIKey of ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is FVUWGQXOFSLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-19-15(18)12-11(7-9(2)3)8-20-14(12)16-13(17)10(4)5/h8-10H,6-7H2,1-5H3,(H,16,17).
What are the key properties of ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate?
ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropanoylamino)-4-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 916359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).