2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone

C14H17NO4S — CID 83162483

IUPAC2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
SMILESCCCOc1cccc2[nH]cc(C(=O)CS(C)(=O)=O)c12
InChIInChI=1S/C14H17NO4S/c1-3-7-19-13-6-4-5-11-14(13)10(8-15-11)12(16)9-20(2,17)18/h4-6,8,15H,3,7,9H2,1-2H3
InChIKeyUZQQENRIZLGQNB-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.18
Rot. Bonds6

About 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone

2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone (PubChem CID 83162483) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
PubChem CID83162483
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone
SMILESCCCOc1cccc2[nH]cc(C(=O)CS(C)(=O)=O)c12
InChIInChI=1S/C14H17NO4S/c1-3-7-19-13-6-4-5-11-14(13)10(8-15-11)12(16)9-20(2,17)18/h4-6,8,15H,3,7,9H2,1-2H3
InChIKeyUZQQENRIZLGQNB-UHFFFAOYSA-N
XLogP2.18
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-oxo-4-(4-propoxy-1H-indol-3-yl)butanoic acid
CID 83164418
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
furan-3-yl-(4-propoxy-1H-indol-3-yl)methanone
CID 83163488
4-propoxy-1H-indole-3-sulfonamide
CID 83174186
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
3-phenyl-4-propoxy-1H-indole
CID 90764828
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
1-(2-ethoxyphenyl)-2-methylsulfonylethanone
CID 62784939

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone (CID 83162483) is 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone is CCCOc1cccc2[nH]cc(C(=O)CS(C)(=O)=O)c12.
What is the InChIKey of 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone?
The InChIKey is UZQQENRIZLGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-7-19-13-6-4-5-11-14(13)10(8-15-11)12(16)9-20(2,17)18/h4-6,8,15H,3,7,9H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone?
2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone has a molecular weight of 295.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(4-propoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 83162483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).