ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate

C14H14N2O4S — CID 63617190

IUPACethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O4S/c1-3-20-14(19)10-7-8(2)21-13(10)16-12(18)9-5-4-6-15-11(9)17/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGVEDSIIEZYXJRL-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 63617190) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID63617190
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O4S/c1-3-20-14(19)10-7-8(2)21-13(10)16-12(18)9-5-4-6-15-11(9)17/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGVEDSIIEZYXJRL-UHFFFAOYSA-N
XLogP2.17
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558
ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate (CID 63617190) is ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is GVEDSIIEZYXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-3-20-14(19)10-7-8(2)21-13(10)16-12(18)9-5-4-6-15-11(9)17/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 63617190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).