5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

C16H17NO5S — CID 122110606

IUPAC5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCOCCOc1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-8-9-22-12-4-2-11(3-5-12)15(18)17-10-13-6-7-14(23-13)16(19)20/h2-7H,8-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDBUMCPLXKONGN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.40
Rot. Bonds8

About 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110606) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110606
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCOCCOc1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C16H17NO5S/c1-21-8-9-22-12-4-2-11(3-5-12)15(18)17-10-13-6-7-14(23-13)16(19)20/h2-7H,8-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDBUMCPLXKONGN-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'}

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Related Compounds

5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
5-[[(4-chlorobenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 11392290
5-[[(4-propan-2-ylbenzoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110529
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110563
5-[[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110305
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
5-[(methoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254308
5-[[(5-tert-butylpyridine-2-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110203

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110606) is 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is COCCOc1ccc(C(=O)NCc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is JDBUMCPLXKONGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-21-8-9-22-12-4-2-11(3-5-12)15(18)17-10-13-6-7-14(23-13)16(19)20/h2-7H,8-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[4-(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-[[[4-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).