5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid

C12H18N2O4S — CID 28865516

IUPAC5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)CN(C)CCO)s1
InChIInChI=1S/C12H18N2O4S/c1-3-8-6-9(12(17)18)11(19-8)13-10(16)7-14(2)4-5-15/h6,15H,3-5,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyRBCYJJJSQQLSQZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.87
Rot. Bonds7

About 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid

5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid (PubChem CID 28865516) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
PubChem CID28865516
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)CN(C)CCO)s1
InChIInChI=1S/C12H18N2O4S/c1-3-8-6-9(12(17)18)11(19-8)13-10(16)7-14(2)4-5-15/h6,15H,3-5,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyRBCYJJJSQQLSQZ-UHFFFAOYSA-N
XLogP0.87
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616189
2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-5-ethylthiophene-3-carboxylic acid
CID 63614494
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 63615849
5-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 28858997
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
2-[[2-(4-chlorophenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 28858939
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid (CID 28865516) is 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)CN(C)CCO)s1.
What is the InChIKey of 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is RBCYJJJSQQLSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-8-6-9(12(17)18)11(19-8)13-10(16)7-14(2)4-5-15/h6,15H,3-5,7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid?
5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 28865516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).