N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide

C12H16N2O3S — CID 40805159

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-10(15)13-7-9-18(16,17)14-8-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyXIGLQWLWWCXSFN-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide (PubChem CID 40805159) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide
PubChem CID40805159
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-10(15)13-7-9-18(16,17)14-8-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyXIGLQWLWWCXSFN-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
1-(Methylsulfonyl)indolin-5-amine
CID 735917
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
N-(4-methylbenzyl)-1-propionylindoline-5-sulfonamide
CID 15990558
1-acetyl-N-(2-cyclohex-1-en-1-ylethyl)indoline-5-sulfonamide
CID 3245229
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]propanamide
CID 788728
1-Acetylindoline-5-sulfonamide
CID 804208
N,N-Dimethylindoline-5-Sulfonamide
CID 2736127
1-Acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
CID 14024596
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 3243161

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide (CID 40805159) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide is CC(=O)NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide?
The InChIKey is XIGLQWLWWCXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(15)13-7-9-18(16,17)14-8-6-11-4-2-3-5-12(11)14/h2-5H,6-9H2,1H3,(H,13,15).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]acetamide is sourced from PubChem (CID 40805159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).