[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate

C13H19NO3S — CID 46619427

IUPAC[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)NCC(C)C)s1
InChIInChI=1S/C13H19NO3S/c1-8(2)7-14-12(15)10(4)17-13(16)11-6-5-9(3)18-11/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyBHUYBCRXFKGZSR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.37
Rot. Bonds5

About [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate (PubChem CID 46619427) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
PubChem CID46619427
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OC(C)C(=O)NCC(C)C)s1
InChIInChI=1S/C13H19NO3S/c1-8(2)7-14-12(15)10(4)17-13(16)11-6-5-9(3)18-11/h5-6,8,10H,7H2,1-4H3,(H,14,15)
InChIKeyBHUYBCRXFKGZSR-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502856
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837917
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837925
2-O-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-O-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 8884003
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
CID 7859553
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2548709
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-methylthiophene-2-carboxylate
CID 55318696
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 25163565
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 11917498
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994629
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502804
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502802

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate (CID 46619427) is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OC(C)C(=O)NCC(C)C)s1.
What is the InChIKey of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
The InChIKey is BHUYBCRXFKGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-8(2)7-14-12(15)10(4)17-13(16)11-6-5-9(3)18-11/h5-6,8,10H,7H2,1-4H3,(H,14,15).
What are the key properties of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate?
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 46619427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).