2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid

C11H14N2O3S — CID 55249146

IUPAC2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)NC2CC2)s1
InChIInChI=1S/C11H14N2O3S/c1-2-7-5-8(10(14)15)9(17-7)13-11(16)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYRZNXWSDRKPXSY-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.29
Rot. Bonds4

About 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid

2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid (PubChem CID 55249146) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
PubChem CID55249146
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)NC2CC2)s1
InChIInChI=1S/C11H14N2O3S/c1-2-7-5-8(10(14)15)9(17-7)13-11(16)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYRZNXWSDRKPXSY-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
methyl 2-(cyclopentylcarbamothioylamino)-5-ethylthiophene-3-carboxylate
CID 19650420
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
5-ethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 83192350
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 63615849
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid (CID 55249146) is 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid?
The InChIKey is YRZNXWSDRKPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-7-5-8(10(14)15)9(17-7)13-11(16)12-6-3-4-6/h5-6H,2-4H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid?
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 55249146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).