3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide

C14H18N2O5S2 — CID 75386486

IUPAC3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C14H18N2O5S2/c1-22(18,19)10-11-23(20,21)15-14(17)7-9-16-8-6-12-4-2-3-5-13(12)16/h2-6,8H,7,9-11H2,1H3,(H,15,17)
InChIKeyYWSZYIHQJMIXEO-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.52
Rot. Bonds7

About 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide

3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide (PubChem CID 75386486) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
PubChem CID75386486
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C14H18N2O5S2/c1-22(18,19)10-11-23(20,21)15-14(17)7-9-16-8-6-12-4-2-3-5-13(12)16/h2-6,8H,7,9-11H2,1H3,(H,15,17)
InChIKeyYWSZYIHQJMIXEO-UHFFFAOYSA-N
XLogP0.52
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
CID 86997837
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
2-(3-indol-1-ylpropanoylamino)-2-methylbutanoic acid
CID 119199226
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide
CID 18273092
1-(3-ethylsulfonylpropyl)indole
CID 65097244
N'-[2-(1-adamantyl)acetyl]-3-indol-1-ylpropanehydrazide
CID 18107729

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide?
The IUPAC name of 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide (CID 75386486) is 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide.
What is the SMILES notation for 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide?
The canonical SMILES for 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide is CS(=O)(=O)CCS(=O)(=O)NC(=O)CCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide?
The InChIKey is YWSZYIHQJMIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c1-22(18,19)10-11-23(20,21)15-14(17)7-9-16-8-6-12-4-2-3-5-13(12)16/h2-6,8H,7,9-11H2,1H3,(H,15,17).
What are the key properties of 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide?
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide is sourced from PubChem (CID 75386486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).