3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C12H19NO6S2 — CID 61060900

IUPAC3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(C(C)COC)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H19NO6S2/c1-9(8-19-3)13(5-6-18-2)21(16,17)10-4-7-20-11(10)12(14)15/h4,7,9H,5-6,8H2,1-3H3,(H,14,15)
InChIKeyFIBAXLQDPBMFAC-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.12
Rot. Bonds9

About 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61060900) has the molecular formula C12H19NO6S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61060900
Molecular FormulaC12H19NO6S2
Molecular Weight337.42 g/mol
Exact Mass337.07
IUPAC Name3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(C(C)COC)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C12H19NO6S2/c1-9(8-19-3)13(5-6-18-2)21(16,17)10-4-7-20-11(10)12(14)15/h4,7,9H,5-6,8H2,1-3H3,(H,14,15)
InChIKeyFIBAXLQDPBMFAC-UHFFFAOYSA-N
XLogP1.12
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
3-[2-methylpropyl(pentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79490962
3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 43402887
2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 82965434
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
5-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 55000523
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 61066900
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 61060900) is 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is COCCN(C(C)COC)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FIBAXLQDPBMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6S2/c1-9(8-19-3)13(5-6-18-2)21(16,17)10-4-7-20-11(10)12(14)15/h4,7,9H,5-6,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).