5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

C14H19NO4S — CID 103790354

IUPAC5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C14H19NO4S/c1-4-19-11-7-10(14(11,2)3)15-12(16)8-5-6-9(20-8)13(17)18/h5-6,10-11H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyHYVXWXYZEHMQJL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.38
Rot. Bonds5

About 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 103790354) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID103790354
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCOC1CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C14H19NO4S/c1-4-19-11-7-10(14(11,2)3)15-12(16)8-5-6-9(20-8)13(17)18/h5-6,10-11H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyHYVXWXYZEHMQJL-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683947
5-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683245
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824832
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526
5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 119187199
3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 103707615
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
CID 103707614
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
CID 103747020
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-carboxylic acid
CID 79356602
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103826135

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (CID 103790354) is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is CCOC1CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C.
What is the InChIKey of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is HYVXWXYZEHMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-19-11-7-10(14(11,2)3)15-12(16)8-5-6-9(20-8)13(17)18/h5-6,10-11H,4,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103790354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).