ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate

C13H13NO3S2 — CID 43406104

IUPACethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccsc2)cc1C
InChIInChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)6-10(19-11)14-12(15)9-4-5-18-7-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyLRZJCDHKTMEWEO-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.55
Rot. Bonds4

About ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate

ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate (PubChem CID 43406104) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
PubChem CID43406104
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Nameethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccsc2)cc1C
InChIInChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)6-10(19-11)14-12(15)9-4-5-18-7-9/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyLRZJCDHKTMEWEO-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7942302
ethyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 55331730
ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4813440
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[(6-methoxypyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 134015968
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
ethyl 3-methyl-5-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 43406418
ethyl 3-methyl-5-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 55414035
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate (CID 43406104) is ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccsc2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate?
The InChIKey is LRZJCDHKTMEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-3-17-13(16)11-8(2)6-10(19-11)14-12(15)9-4-5-18-7-9/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate?
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.55, 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-(thiophene-3-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 43406104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).