2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

C17H19NO4S — CID 28858443

IUPAC2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)O)cc1
InChIInChI=1S/C17H19NO4S/c1-4-22-13-7-5-12(6-8-13)9-14(19)18-16-15(17(20)21)10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHUQGAXBJUYWDCI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.64
Rot. Bonds6

About 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 28858443) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID28858443
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)O)cc1
InChIInChI=1S/C17H19NO4S/c1-4-22-13-7-5-12(6-8-13)9-14(19)18-16-15(17(20)21)10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyHUQGAXBJUYWDCI-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
CID 28778288
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5139669
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 16849358
2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 61389412
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
ethyl 2-[[2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7669857

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 28858443) is 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is CCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is HUQGAXBJUYWDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-4-22-13-7-5-12(6-8-13)9-14(19)18-16-15(17(20)21)10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 28858443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).