5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

C14H15NO3S2 — CID 43356570

IUPAC5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C
InChIInChI=1S/C14H15NO3S2/c1-4-9-6-10(19-8(9)3)13(16)15-11-5-7(2)12(20-11)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUPBIDSXUPCECAA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.94
Rot. Bonds4

About 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356570) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356570
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C
InChIInChI=1S/C14H15NO3S2/c1-4-9-6-10(19-8(9)3)13(16)15-11-5-7(2)12(20-11)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUPBIDSXUPCECAA-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

3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880510
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
4-bromo-3-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107812502
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 43356570) is 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is CCc1cc(C(=O)Nc2cc(C)c(C(=O)O)s2)sc1C.
What is the InChIKey of 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is UPBIDSXUPCECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-4-9-6-10(19-8(9)3)13(16)15-11-5-7(2)12(20-11)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-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 5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).