2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide

C16H19NO4S2 — CID 142645350

IUPAC2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCOc1c(C)cc(C)c(CC(=O)c2sccc2S(N)(=O)=O)c1C
InChIInChI=1S/C16H19NO4S2/c1-9-7-10(2)15(21-4)11(3)12(9)8-13(18)16-14(5-6-22-16)23(17,19)20/h5-7H,8H2,1-4H3,(H2,17,19,20)
InChIKeyRBZJVQYHEGGWSK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds5

About 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide

2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide (PubChem CID 142645350) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide
PubChem CID142645350
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCOc1c(C)cc(C)c(CC(=O)c2sccc2S(N)(=O)=O)c1C
InChIInChI=1S/C16H19NO4S2/c1-9-7-10(2)15(21-4)11(3)12(9)8-13(18)16-14(5-6-22-16)23(17,19)20/h5-7H,8H2,1-4H3,(H2,17,19,20)
InChIKeyRBZJVQYHEGGWSK-UHFFFAOYSA-N
XLogP2.75
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide (CID 142645350) is 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide is COc1c(C)cc(C)c(CC(=O)c2sccc2S(N)(=O)=O)c1C.
What is the InChIKey of 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide?
The InChIKey is RBZJVQYHEGGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-9-7-10(2)15(21-4)11(3)12(9)8-13(18)16-14(5-6-22-16)23(17,19)20/h5-7H,8H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide?
2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-2,4,6-trimethylphenyl)acetyl]thiophene-3-sulfonamide is sourced from PubChem (CID 142645350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).