5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid

C9H14N2O5S2 — CID 114814326

IUPAC5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
SMILESCOCCNS(=O)(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O5S2/c1-6-5-7(17-8(6)9(12)13)11-18(14,15)10-3-4-16-2/h5,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyMFHUFHPQFQFYQV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.65
Rot. Bonds7

About 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid

5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 114814326) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID114814326
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
SMILESCOCCNS(=O)(=O)Nc1cc(C)c(C(=O)O)s1
InChIInChI=1S/C9H14N2O5S2/c1-6-5-7(17-8(6)9(12)13)11-18(14,15)10-3-4-16-2/h5,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyMFHUFHPQFQFYQV-UHFFFAOYSA-N
XLogP0.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
ethyl 5-(ethylsulfamoylamino)-3-methylthiophene-2-carboxylate
CID 114811414
3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958
ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 63287775
3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
CID 63857124
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 43361342
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
CID 51291707
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid (CID 114814326) is 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid is COCCNS(=O)(=O)Nc1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is MFHUFHPQFQFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-6-5-7(17-8(6)9(12)13)11-18(14,15)10-3-4-16-2/h5,10-11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid?
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114814326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).