5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

C16H17NO5S — CID 122110764

IUPAC5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCOCCOc1cccc(C(=O)NCc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C16H17NO5S/c1-21-7-8-22-12-4-2-3-11(9-12)15(18)17-10-13-5-6-14(23-13)16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyOFVGPWJOOXSMMI-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.40
Rot. Bonds8

About 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110764) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110764
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCOCCOc1cccc(C(=O)NCc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C16H17NO5S/c1-21-7-8-22-12-4-2-3-11(9-12)15(18)17-10-13-5-6-14(23-13)16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyOFVGPWJOOXSMMI-UHFFFAOYSA-N
XLogP2.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-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

5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110606
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 62920181
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110764) is 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is COCCOc1cccc(C(=O)NCc2ccc(C(=O)O)s2)c1.
What is the InChIKey of 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is OFVGPWJOOXSMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-7-8-22-12-4-2-3-11(9-12)15(18)17-10-13-5-6-14(23-13)16(19)20/h2-6,9H,7-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).