[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate

C15H17NO3S2 — CID 129357296

IUPAC[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N[C@H](c1ccsc1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-10(17)19-15(2,3)14(18)16-13(11-6-8-20-9-11)12-5-4-7-21-12/h4-9,13H,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyOXZSHFJAKIDQBH-CYBMUJFWSA-N
MW323.44 g/mol
LogP3.36
Rot. Bonds5

About [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate

[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate (PubChem CID 129357296) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate
PubChem CID129357296
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N[C@H](c1ccsc1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-10(17)19-15(2,3)14(18)16-13(11-6-8-20-9-11)12-5-4-7-21-12/h4-9,13H,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyOXZSHFJAKIDQBH-CYBMUJFWSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.36
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-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate (CID 129357296) is [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)N[C@H](c1ccsc1)c1cccs1.
What is the InChIKey of [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate?
The InChIKey is OXZSHFJAKIDQBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10(17)19-15(2,3)14(18)16-13(11-6-8-20-9-11)12-5-4-7-21-12/h4-9,13H,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of [2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate?
[2-methyl-1-oxo-1-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate has a molecular weight of 323.44 g/mol, XLogP of 3.36, 5 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-[[(R)-thiophen-2-yl(thiophen-3-yl)methyl]amino]propan-2-yl] acetate is sourced from PubChem (CID 129357296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).