4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid

C14H15NO4S2 — CID 61068586

IUPAC4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO4S2/c1-15(8-7-11-5-3-2-4-6-11)21(18,19)12-9-13(14(16)17)20-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyGHHMQXHEDUKYFW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.31
Rot. Bonds6

About 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid

4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61068586) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61068586
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO4S2/c1-15(8-7-11-5-3-2-4-6-11)21(18,19)12-9-13(14(16)17)20-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyGHHMQXHEDUKYFW-UHFFFAOYSA-N
XLogP2.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxamide
CID 6503614
4-[benzyl(methyl)sulfamoyl]thiophene-2-carboxamide
CID 6486033
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125
4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid
CID 113403985
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
N-[2-(4-fluorophenyl)ethyl]-5-(N-hydroxy-C-propan-2-ylcarbonimidoyl)-N-methylthiophene-3-sulfonamide
CID 86601002
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 105414412
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61068586) is 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CCc1ccccc1)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GHHMQXHEDUKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-15(8-7-11-5-3-2-4-6-11)21(18,19)12-9-13(14(16)17)20-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61068586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).