5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid

C19H17NO5S — CID 146088464

IUPAC5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc3sc(C(=O)O)cc3c2)c1
InChIInChI=1S/C19H17NO5S/c1-24-14-4-5-15(25-2)11(8-14)10-18(21)20-13-3-6-16-12(7-13)9-17(26-16)19(22)23/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDXPUZRKNGPEGND-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.80
Rot. Bonds6

About 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid

5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid (PubChem CID 146088464) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid
PubChem CID146088464
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc3sc(C(=O)O)cc3c2)c1
InChIInChI=1S/C19H17NO5S/c1-24-14-4-5-15(25-2)11(8-14)10-18(21)20-13-3-6-16-12(7-13)9-17(26-16)19(22)23/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDXPUZRKNGPEGND-UHFFFAOYSA-N
XLogP3.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
CID 110766971
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
methyl 5-[[2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate
CID 43873348
N-(2-aminophenyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 68697079
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
5-(carbamothioylamino)-1-benzothiophene-2-carboxylic acid
CID 169360015

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid (CID 146088464) is 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid is COc1ccc(OC)c(CC(=O)Nc2ccc3sc(C(=O)O)cc3c2)c1.
What is the InChIKey of 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid?
The InChIKey is DXPUZRKNGPEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-24-14-4-5-15(25-2)11(8-14)10-18(21)20-13-3-6-16-12(7-13)9-17(26-16)19(22)23/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid?
5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 146088464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).