propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate

C15H19NO4S — CID 83984816

IUPACpropan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
SMILESCCS(=O)(=O)c1ccc2[nH]cc(CC(=O)OC(C)C)c2c1
InChIInChI=1S/C15H19NO4S/c1-4-21(18,19)12-5-6-14-13(8-12)11(9-16-14)7-15(17)20-10(2)3/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeySBGDNSOPFJRXOV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.46
Rot. Bonds5

About propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate

propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate (PubChem CID 83984816) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
PubChem CID83984816
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namepropan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
SMILESCCS(=O)(=O)c1ccc2[nH]cc(CC(=O)OC(C)C)c2c1
InChIInChI=1S/C15H19NO4S/c1-4-21(18,19)12-5-6-14-13(8-12)11(9-16-14)7-15(17)20-10(2)3/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeySBGDNSOPFJRXOV-UHFFFAOYSA-N
XLogP2.46
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate 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

ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984815
1-(5-ethylsulfonyl-1H-indol-3-yl)-3-methylbutan-2-amine
CID 83984848
methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 42900597

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate (CID 83984816) is propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate is CCS(=O)(=O)c1ccc2[nH]cc(CC(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
The InChIKey is SBGDNSOPFJRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-4-21(18,19)12-5-6-14-13(8-12)11(9-16-14)7-15(17)20-10(2)3/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate?
propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate has a molecular weight of 309.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 83984816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).