ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate

C14H15NO3S2 — CID 2354963

IUPACethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
InChIInChI=1S/C14H15NO3S2/c1-4-18-14(17)12-9(3)7-10(20-12)15-13(16)11-8(2)5-6-19-11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYIIRDIPPHCEEIS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.86
Rot. Bonds4

About ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 2354963) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID2354963
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Nameethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
InChIInChI=1S/C14H15NO3S2/c1-4-18-14(17)12-9(3)7-10(20-12)15-13(16)11-8(2)5-6-19-11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYIIRDIPPHCEEIS-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate
CID 2359669
5-[(3-Ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-5-oxopentanoic acid
CID 661072
5'-Acetylamino-[2,3']bithiophenyl-4'-carboxylic acid ethyl ester
CID 759955
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313207
4,5-Dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 650856
Ethyl 5'-[(3-methylbutanoyl)amino]-2,3'-bithiophene-4'-carboxylate
CID 762489
Ethyl 3-methyl-5-({[(3-methylbutanoyl)amino]carbonothioyl}amino)-2-thiophenecarboxylate
CID 801011
Propan-2-yl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 868671
Ethyl 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 868688
Isopropyl 4,5-dimethyl-2-[(2-thienylcarbonyl)amino]-3-thiophenecarboxylate
CID 903545
Ethyl 5'-pivalamido-[2,3'-bithiophene]-4'-carboxylate
CID 917279
Methyl 4,5-dimethyl-2-[(2-thienylacetyl)amino]-3-thiophenecarboxylate
CID 1245885

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate (CID 2354963) is ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is YIIRDIPPHCEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-4-18-14(17)12-9(3)7-10(20-12)15-13(16)11-8(2)5-6-19-11/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2354963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).