[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

C19H24N2O3S — CID 2363572

IUPAC[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1)C(C)C
InChIInChI=1S/C19H24N2O3S/c1-5-21(13(2)3)16-9-7-15(8-10-16)20-18(22)12-24-19(23)17-11-6-14(4)25-17/h6-11,13H,5,12H2,1-4H3,(H,20,22)
InChIKeyPOZAWRRMIVNCAA-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.09
Rot. Bonds7

About [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2363572) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2363572
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCCN(c1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1)C(C)C
InChIInChI=1S/C19H24N2O3S/c1-5-21(13(2)3)16-9-7-15(8-10-16)20-18(22)12-24-19(23)17-11-6-14(4)25-17/h6-11,13H,5,12H2,1-4H3,(H,20,22)
InChIKeyPOZAWRRMIVNCAA-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2363572) is [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is CCN(c1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1)C(C)C.
What is the InChIKey of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is POZAWRRMIVNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-21(13(2)3)16-9-7-15(8-10-16)20-18(22)12-24-19(23)17-11-6-14(4)25-17/h6-11,13H,5,12H2,1-4H3,(H,20,22).
What are the key properties of [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2363572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).