3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

C13H17NO4S — CID 64888611

IUPAC3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCc1sc(C(=O)NC2(C(=O)O)CCOC2)cc1C
InChIInChI=1S/C13H17NO4S/c1-3-9-8(2)6-10(19-9)11(15)14-13(12(16)17)4-5-18-7-13/h6H,3-5,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVJYSETNBKNQPJT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.59
Rot. Bonds4

About 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid

3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64888611) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64888611
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCc1sc(C(=O)NC2(C(=O)O)CCOC2)cc1C
InChIInChI=1S/C13H17NO4S/c1-3-9-8(2)6-10(19-9)11(15)14-13(12(16)17)4-5-18-7-13/h6H,3-5,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVJYSETNBKNQPJT-UHFFFAOYSA-N
XLogP1.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
5-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylthiophene-2-carboxamide
CID 80711832
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
(3S)-3-[(3,5-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 141279182
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889025
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 122108235

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 64888611) is 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is CCc1sc(C(=O)NC2(C(=O)O)CCOC2)cc1C.
What is the InChIKey of 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VJYSETNBKNQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-9-8(2)6-10(19-9)11(15)14-13(12(16)17)4-5-18-7-13/h6H,3-5,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).