5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid

C12H18BrNO5S2 — CID 60950189

IUPAC5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H18BrNO5S2/c1-8(2)7-14(4-5-19-3)21(17,18)10-6-9(12(15)16)20-11(10)13/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyFYYHZUBSVDDKOJ-UHFFFAOYSA-N
MW400.32 g/mol
LogP2.50
Rot. Bonds8

About 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60950189) has the molecular formula C12H18BrNO5S2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60950189
Molecular FormulaC12H18BrNO5S2
Molecular Weight400.32 g/mol
Exact Mass398.98
IUPAC Name5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H18BrNO5S2/c1-8(2)7-14(4-5-19-3)21(17,18)10-6-9(12(15)16)20-11(10)13/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyFYYHZUBSVDDKOJ-UHFFFAOYSA-N
XLogP2.50
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
CID 43362638
5-bromo-4-[3-methoxypropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55140491
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113468643
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456
5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43570048
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79178570
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
5-bromo-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60780487
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 60950189) is 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid is COCCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FYYHZUBSVDDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO5S2/c1-8(2)7-14(4-5-19-3)21(17,18)10-6-9(12(15)16)20-11(10)13/h6,8H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 400.32 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60950189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).