2-acetamido-5-ethylthiophene-3-carboxylic acid

C9H11NO3S — CID 21230639

IUPAC2-acetamido-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(C)=O)s1
InChIInChI=1S/C9H11NO3S/c1-3-6-4-7(9(12)13)8(14-6)10-5(2)11/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCBLSFGDBZWPZNC-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.97
Rot. Bonds3

About 2-acetamido-5-ethylthiophene-3-carboxylic acid

2-acetamido-5-ethylthiophene-3-carboxylic acid (PubChem CID 21230639) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-acetamido-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-5-ethylthiophene-3-carboxylic acid
PubChem CID21230639
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-acetamido-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(C)=O)s1
InChIInChI=1S/C9H11NO3S/c1-3-6-4-7(9(12)13)8(14-6)10-5(2)11/h4H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCBLSFGDBZWPZNC-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-acetamido-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63614151
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
CID 82096774
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
3-[(2-acetamido-5-ethylthiophene-3-carbonyl)-methylamino]propanoic acid
CID 82033514
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331
3-[(2-acetamido-5-ethylthiophene-3-carbonyl)amino]-4-methylbenzoic acid
CID 39164483
5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 28865516
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-acetamido-5-ethylthiophene-3-carboxylic acid (CID 21230639) is 2-acetamido-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-acetamido-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-acetamido-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(C)=O)s1.
What is the InChIKey of 2-acetamido-5-ethylthiophene-3-carboxylic acid?
The InChIKey is CBLSFGDBZWPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-3-6-4-7(9(12)13)8(14-6)10-5(2)11/h4H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-5-ethylthiophene-3-carboxylic acid?
2-acetamido-5-ethylthiophene-3-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 21230639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).