2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H15NO3S2 — CID 61389412

IUPAC2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H15NO3S2/c1-4-9-5-6-19-11(9)12(16)15-13-10(14(17)18)7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyFLZPIOBZGLWNIG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.94
Rot. Bonds4

About 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 61389412) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID61389412
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H15NO3S2/c1-4-9-5-6-19-11(9)12(16)15-13-10(14(17)18)7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyFLZPIOBZGLWNIG-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
CID 28778288
2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28858443
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
2-[[butan-2-yl(ethyl)carbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114046
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 61389412) is 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is CCc1ccsc1C(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is FLZPIOBZGLWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-4-9-5-6-19-11(9)12(16)15-13-10(14(17)18)7(2)8(3)20-13/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 61389412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).