5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid

C12H16N2O4S — CID 115593699

IUPAC5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-3-14(4-2)10(15)7-13-11(16)8-5-6-9(19-8)12(17)18/h5-6H,3-4,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyMQIMHAQJRXHPSZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.04
Rot. Bonds6

About 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid

5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 115593699) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID115593699
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H16N2O4S/c1-3-14(4-2)10(15)7-13-11(16)8-5-6-9(19-8)12(17)18/h5-6H,3-4,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyMQIMHAQJRXHPSZ-UHFFFAOYSA-N
XLogP1.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid (CID 115593699) is 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid is CCN(CC)C(=O)CNC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MQIMHAQJRXHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-14(4-2)10(15)7-13-11(16)8-5-6-9(19-8)12(17)18/h5-6H,3-4,7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid?
5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115593699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).