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

C15H18O5S3 — CID 151484284

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 Name2-[3-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylphenyl]sulfonylthiophene
PubChem CID151484284
Molecular FormulaC15H18O5S3
Molecular Weight374.51 g/mol
Exact Mass374.03
IUPAC Name2-[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
XLogP3.16
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonylbenzene
CID 70933188
dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
CID 123636622
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
methyl thiophene-2-sulfonate
CID 56986285
1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 55906610
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
methyl N'-thiophen-2-ylsulfonylcarbamimidate
CID 74002349
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
tert-butyl 3-thiophen-2-ylsulfonylpropanoate
CID 116662446
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199

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).