3-acetamidothiophene-2-carboxylate

C7H6NO3S- — CID 25272924

IUPAC3-acetamidothiophene-2-carboxylate
SMILESCC(=O)Nc1ccsc1C(=O)[O-]
InChIInChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)/p-1
InChIKeyLLKLTQJOEPWBOE-UHFFFAOYSA-M
MW184.20 g/mol
LogP0.07
Rot. Bonds2

About 3-acetamidothiophene-2-carboxylate

3-acetamidothiophene-2-carboxylate (PubChem CID 25272924) has the molecular formula C7H6NO3S- and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-acetamidothiophene-2-carboxylate.

Molecular Properties

Compound Name3-acetamidothiophene-2-carboxylate
PubChem CID25272924
Molecular FormulaC7H6NO3S-
Molecular Weight184.20 g/mol
Exact Mass184.01
IUPAC Name3-acetamidothiophene-2-carboxylate
SMILESCC(=O)Nc1ccsc1C(=O)[O-]
InChIInChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)/p-1
InChIKeyLLKLTQJOEPWBOE-UHFFFAOYSA-M
XLogP0.07
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-amino-2-thiophenecarboxylate
CID 89652
Methyl 3-(2-(2-thienyl)acetamido)thiophene-2-carboxylate
CID 2808202
Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
CID 25116550
Methyl 3-[(cyclopropylcarbonyl)amino]-2-thiophenecarboxylate
CID 2808367
Methyl 3-(2-chloroacetamido)thiophene-2-carboxylate
CID 736568
Methyl 3-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
CID 2970705
Methyl 3-(2-thienylcarbonylamino)thiophene-2-carboxylate
CID 2807638
Methyl 3-{[(5-methyl-2-thienyl)carbonyl]amino}-2-thiophenecarboxylate
CID 1225673
Methyl 3-[(propylcarbamoyl)amino]thiophene-2-carboxylate
CID 16189699
methyl 5-oxo-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 49831021
Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate
CID 2805185

Frequently Asked Questions

What is the IUPAC name of 3-acetamidothiophene-2-carboxylate?
The IUPAC name of 3-acetamidothiophene-2-carboxylate (CID 25272924) is 3-acetamidothiophene-2-carboxylate.
What is the SMILES notation for 3-acetamidothiophene-2-carboxylate?
The canonical SMILES for 3-acetamidothiophene-2-carboxylate is CC(=O)Nc1ccsc1C(=O)[O-].
What is the InChIKey of 3-acetamidothiophene-2-carboxylate?
The InChIKey is LLKLTQJOEPWBOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3S/c1-4(9)8-5-2-3-12-6(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)/p-1.
What are the key properties of 3-acetamidothiophene-2-carboxylate?
3-acetamidothiophene-2-carboxylate has a molecular weight of 184.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidothiophene-2-carboxylate is sourced from PubChem (CID 25272924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).