methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate

C11H15NO3S — CID 55028598

IUPACmethyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyAEHZWZVCFANNEB-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate

methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate (PubChem CID 55028598) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate
PubChem CID55028598
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccsc1)C(C)C
InChIInChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
InChIKeyAEHZWZVCFANNEB-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[propan-2-yl(thiophene-3-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate (CID 55028598) is methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccsc1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate?
The InChIKey is AEHZWZVCFANNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate?
methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate has a molecular weight of 241.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(thiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 55028598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).