2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone

C14H20O4S — CID 64643547

IUPAC2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CS(=O)(=O)C(C)CC)cc1
InChIInChI=1S/C14H20O4S/c1-4-11(3)19(16,17)10-14(15)12-6-8-13(9-7-12)18-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyDWGUXTFUEGDMGR-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.48
Rot. Bonds7

About 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone

2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone (PubChem CID 64643547) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone
PubChem CID64643547
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CS(=O)(=O)C(C)CC)cc1
InChIInChI=1S/C14H20O4S/c1-4-11(3)19(16,17)10-14(15)12-6-8-13(9-7-12)18-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyDWGUXTFUEGDMGR-UHFFFAOYSA-N
XLogP2.48
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-3-methylpentan-1-one
CID 13257676
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone (CID 64643547) is 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)CS(=O)(=O)C(C)CC)cc1.
What is the InChIKey of 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone?
The InChIKey is DWGUXTFUEGDMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-4-11(3)19(16,17)10-14(15)12-6-8-13(9-7-12)18-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone?
2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone has a molecular weight of 284.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 64643547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).