ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate

C15H16N2O3S — CID 17475562

IUPACethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C
InChIInChI=1S/C15H16N2O3S/c1-4-20-15(19)12-9(2)10(3)21-14(12)17-13(18)11-7-5-6-8-16-11/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyANBIGWCVEJATNB-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.19
Rot. Bonds4

About ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 17475562) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID17475562
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C
InChIInChI=1S/C15H16N2O3S/c1-4-20-15(19)12-9(2)10(3)21-14(12)17-13(18)11-7-5-6-8-16-11/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyANBIGWCVEJATNB-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 4,5-dimethyl-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 103859661
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965
ethyl 4,5-dimethyl-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19271096
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylate
CID 115777763
ethyl 4-(4-ethylphenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 19224306
[2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477324
ethyl 4,5-dimethyl-2-[(2-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7565512
ethyl 4,5-dimethyl-2-(1H-pyrrole-2-carbonylamino)thiophene-3-carboxylate
CID 43406883
ethyl 2-[(5-iodothiophene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 79691498

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate (CID 17475562) is ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is ANBIGWCVEJATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-4-20-15(19)12-9(2)10(3)21-14(12)17-13(18)11-7-5-6-8-16-11/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 17475562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).