3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid

C19H17NO4S2 — CID 15988381

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)O)cc1
InChIInChI=1S/C19H17NO4S2/c1-13-8-10-15(11-9-13)20(2)26(23,24)18-16(12-25-17(18)19(21)22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22)
InChIKeyFRZFQXZAMFFTCQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.25
Rot. Bonds5

About 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid

3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid (PubChem CID 15988381) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid
PubChem CID15988381
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)O)cc1
InChIInChI=1S/C19H17NO4S2/c1-13-8-10-15(11-9-13)20(2)26(23,24)18-16(12-25-17(18)19(21)22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22)
InChIKeyFRZFQXZAMFFTCQ-UHFFFAOYSA-N
XLogP4.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid (CID 15988381) is 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid is Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)O)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid?
The InChIKey is FRZFQXZAMFFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c1-13-8-10-15(11-9-13)20(2)26(23,24)18-16(12-25-17(18)19(21)22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid?
3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 15988381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).