2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid

C14H15NO4S — CID 120820706

IUPAC2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S/c1-3-10-9(14(17)18)7-11(19-10)13(16)15-8(2)12-5-4-6-20-12/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySXJVSZDUBFUQEW-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120820706) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
PubChem CID120820706
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)c2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S/c1-3-10-9(14(17)18)7-11(19-10)13(16)15-8(2)12-5-4-6-20-12/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySXJVSZDUBFUQEW-UHFFFAOYSA-N
XLogP3.09
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
2-ethyl-5-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]furan-3-carboxylic acid
CID 120822841
2-ethyl-5-[1-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120821937
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
2-ethyl-5-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidine-1-carbonyl]furan-3-carboxylic acid
CID 120822175
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid (CID 120820706) is 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NC(C)c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is SXJVSZDUBFUQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-10-9(14(17)18)7-11(19-10)13(16)15-8(2)12-5-4-6-20-12/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-thiophen-2-ylethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).