3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid

C12H15NO4S — CID 155957129

IUPAC3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCCc1cc(NC(=O)C2CCOC2)sc1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-7-5-9(18-10(7)12(15)16)13-11(14)8-3-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZTKKSOJHGMHAZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.98
Rot. Bonds4

About 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid

3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 155957129) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID155957129
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCCc1cc(NC(=O)C2CCOC2)sc1C(=O)O
InChIInChI=1S/C12H15NO4S/c1-2-7-5-9(18-10(7)12(15)16)13-11(14)8-3-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZTKKSOJHGMHAZ-UHFFFAOYSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043
N-(5-ethyl-2-hydroxyphenyl)oxolane-3-carboxamide
CID 71983580
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
5-(oxolane-3-carbonylamino)-1-benzothiophene-2-carboxylic acid
CID 119223152
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 56782378
(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654
N-(3-amino-4-ethylphenyl)oxane-3-carboxamide
CID 63010461
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
3-chloro-5-(oxolane-3-carbonylamino)benzoic acid
CID 81361980
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid (CID 155957129) is 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid is CCc1cc(NC(=O)C2CCOC2)sc1C(=O)O.
What is the InChIKey of 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is UZTKKSOJHGMHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-2-7-5-9(18-10(7)12(15)16)13-11(14)8-3-4-17-6-8/h5,8H,2-4,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid?
3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 155957129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).