propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

C20H24N2O3S — CID 3520898

IUPACpropan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCCN(C(=O)CSc1ncccc1C(=O)OC(C)C)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-5-22(16-9-6-8-15(4)12-16)18(23)13-26-19-17(10-7-11-21-19)20(24)25-14(2)3/h6-12,14H,5,13H2,1-4H3
InChIKeyUKPIGHAZWKACNG-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.10
Rot. Bonds7

About propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate

propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate (PubChem CID 3520898) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
PubChem CID3520898
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namepropan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCCN(C(=O)CSc1ncccc1C(=O)OC(C)C)c1cccc(C)c1
InChIInChI=1S/C20H24N2O3S/c1-5-22(16-9-6-8-15(4)12-16)18(23)13-26-19-17(10-7-11-21-19)20(24)25-14(2)3/h6-12,14H,5,13H2,1-4H3
InChIKeyUKPIGHAZWKACNG-UHFFFAOYSA-N
XLogP4.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate 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 propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate (CID 3520898) is propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate is CCN(C(=O)CSc1ncccc1C(=O)OC(C)C)c1cccc(C)c1.
What is the InChIKey of propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The InChIKey is UKPIGHAZWKACNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-5-22(16-9-6-8-15(4)12-16)18(23)13-26-19-17(10-7-11-21-19)20(24)25-14(2)3/h6-12,14H,5,13H2,1-4H3.
What are the key properties of propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate?
propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 3520898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).