N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide

C13H18N2O4S — CID 110307285

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C13H18N2O4S/c1-10(16)15-6-5-11-3-4-12(9-13(11)15)14-20(17,18)8-7-19-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyBQZLXBSVKDAJBD-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.98
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide (PubChem CID 110307285) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
PubChem CID110307285
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2
InChIInChI=1S/C13H18N2O4S/c1-10(16)15-6-5-11-3-4-12(9-13(11)15)14-20(17,18)8-7-19-2/h3-4,9,14H,5-8H2,1-2H3
InChIKeyBQZLXBSVKDAJBD-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide (CID 110307285) is N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)CC2.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide?
The InChIKey is BQZLXBSVKDAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)15-6-5-11-3-4-12(9-13(11)15)14-20(17,18)8-7-19-2/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 110307285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).