2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene

Name: 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₈O₅S₃ — CID 151484284

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene

SMILESCC(C)(C)Oc1cc(S(C)(=O)=O)cc(S(=O)(=O)c2cccs2)c1

InChIInChI=1S/C15H18O5S3/c1-15(2,3)20-11-8-12(22(4,16)17)10-13(9-11)23(18,19)14-6-5-7-21-14/h5-10H,1-4H3

InChIKeyPNCUQPBSIJWHSM-UHFFFAOYSA-N

MW374.51 g/mol

LogP3.16

Rot. Bonds4

About 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene

2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene (PubChem CID 151484284) has the molecular formula C₁₅H₁₈O₅S₃ and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene.

Molecular Properties

Compound Name	2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene
PubChem CID	151484284
Molecular Formula	C₁₅H₁₈O₅S₃
Molecular Weight	374.51 g/mol
Exact Mass	374.03
IUPAC Name	2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene
SMILES	CC(C)(C)Oc1cc(S(C)(=O)=O)cc(S(=O)(=O)c2cccs2)c1
InChI	InChI=1S/C15H18O5S3/c1-15(2,3)20-11-8-12(22(4,16)17)10-13(9-11)23(18,19)14-6-5-7-21-14/h5-10H,1-4H3
InChIKey	PNCUQPBSIJWHSM-UHFFFAOYSA-N
XLogP	3.16
TPSA	77.51 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene?

The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene (CID 151484284) is 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene.

What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene?

The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene is CC(C)(C)Oc1cc(S(C)(=O)=O)cc(S(=O)(=O)c2cccs2)c1.

What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene?

The InChIKey is PNCUQPBSIJWHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5S3/c1-15(2,3)20-11-8-12(22(4,16)17)10-13(9-11)23(18,19)14-6-5-7-21-14/h5-10H,1-4H3.

What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene?

2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene has a molecular weight of 374.51 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene is sourced from PubChem (CID 151484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151484284 — identifiers, structure, computed properties (public domain)

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