[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate

C15H21NO4S — CID 119099320

IUPAC[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCOCC1
InChIInChI=1S/C15H21NO4S/c1-11(17)20-14(2,3)13(18)16-15(6-8-19-9-7-15)12-5-4-10-21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyGUIUCZFFJRFFMB-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.21
Rot. Bonds4

About [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate

[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate (PubChem CID 119099320) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate
PubChem CID119099320
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCOCC1
InChIInChI=1S/C15H21NO4S/c1-11(17)20-14(2,3)13(18)16-15(6-8-19-9-7-15)12-5-4-10-21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKeyGUIUCZFFJRFFMB-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate (CID 119099320) is [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCOCC1.
What is the InChIKey of [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate?
The InChIKey is GUIUCZFFJRFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(17)20-14(2,3)13(18)16-15(6-8-19-9-7-15)12-5-4-10-21-12/h4-5,10H,6-9H2,1-3H3,(H,16,18).
What are the key properties of [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate?
[2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate has a molecular weight of 311.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-oxo-1-[(4-thiophen-2-yloxan-4-yl)amino]propan-2-yl] acetate is sourced from PubChem (CID 119099320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).