2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid

C16H21NO3S — CID 63615849

IUPAC2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)CC2CC3CCC2C3)s1
InChIInChI=1S/C16H21NO3S/c1-2-12-8-13(16(19)20)15(21-12)17-14(18)7-11-6-9-3-4-10(11)5-9/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUTWCWDDXAPJNOO-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.77
Rot. Bonds5

About 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid

2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid (PubChem CID 63615849) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
PubChem CID63615849
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)CC2CC3CCC2C3)s1
InChIInChI=1S/C16H21NO3S/c1-2-12-8-13(16(19)20)15(21-12)17-14(18)7-11-6-9-3-4-10(11)5-9/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyUTWCWDDXAPJNOO-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid with MolForge

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Related Compounds

ethyl 2-[[2-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 18556594
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
2-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
CID 6359208
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
CID 63115747
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 28865516
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid (CID 63615849) is 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)CC2CC3CCC2C3)s1.
What is the InChIKey of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid?
The InChIKey is UTWCWDDXAPJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-2-12-8-13(16(19)20)15(21-12)17-14(18)7-11-6-9-3-4-10(11)5-9/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid?
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid has a molecular weight of 307.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 63615849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).