2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide

C14H15NO3S2 — CID 140662539

IUPAC2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide
SMILESCC(C)c1ccccc1S(=O)(=O)c1sccc1C(N)=O
InChIInChI=1S/C14H15NO3S2/c1-9(2)10-5-3-4-6-12(10)20(17,18)14-11(13(15)16)7-8-19-14/h3-9H,1-2H3,(H2,15,16)
InChIKeySKOBORAFTWSEJP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide

2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide (PubChem CID 140662539) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide
PubChem CID140662539
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide
SMILESCC(C)c1ccccc1S(=O)(=O)c1sccc1C(N)=O
InChIInChI=1S/C14H15NO3S2/c1-9(2)10-5-3-4-6-12(10)20(17,18)14-11(13(15)16)7-8-19-14/h3-9H,1-2H3,(H2,15,16)
InChIKeySKOBORAFTWSEJP-UHFFFAOYSA-N
XLogP2.80
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide?
The IUPAC name of 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide (CID 140662539) is 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide?
The canonical SMILES for 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide is CC(C)c1ccccc1S(=O)(=O)c1sccc1C(N)=O.
What is the InChIKey of 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide?
The InChIKey is SKOBORAFTWSEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-9(2)10-5-3-4-6-12(10)20(17,18)14-11(13(15)16)7-8-19-14/h3-9H,1-2H3,(H2,15,16).
What are the key properties of 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide?
2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 140662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).