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

C14H19NO4S — CID 3138739

IUPACethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCCO2)sc(C)c1C
InChIInChI=1S/C14H19NO4S/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h10H,4-7H2,1-3H3,(H,15,16)
InChIKeyBDBZEQKQCFNEDT-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.66
Rot. Bonds4

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

ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 3138739) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
PubChem CID3138739
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CCCO2)sc(C)c1C
InChIInChI=1S/C14H19NO4S/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h10H,4-7H2,1-3H3,(H,15,16)
InChIKeyBDBZEQKQCFNEDT-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid
CID 444765
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
(2-Oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3000068
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Methyl 4-(3-methylphenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2971567
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
ethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2791251
methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2861929
2-Methyl 4-propyl 3-methyl-5-[(tetrahydro-2-furanylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 4162216
Ethyl 2-(ethoxycarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 896721

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate (CID 3138739) is ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is BDBZEQKQCFNEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-18-14(17)11-8(2)9(3)20-13(11)15-12(16)10-6-5-7-19-10/h10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.66, 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-(oxolane-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 3138739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).