N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide

C15H20N2O4S — CID 3238822

IUPACN-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O4S/c1-11(18)16-13(8-10-22(2,20)21)15(19)17-9-7-12-5-3-4-6-14(12)17/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyZHMOUTNSRXWUHD-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.52
Rot. Bonds5

About N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide

N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide (PubChem CID 3238822) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide
PubChem CID3238822
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H20N2O4S/c1-11(18)16-13(8-10-22(2,20)21)15(19)17-9-7-12-5-3-4-6-14(12)17/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyZHMOUTNSRXWUHD-UHFFFAOYSA-N
XLogP0.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide (CID 3238822) is N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide?
The InChIKey is ZHMOUTNSRXWUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(18)16-13(8-10-22(2,20)21)15(19)17-9-7-12-5-3-4-6-14(12)17/h3-6,13H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide?
N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroindol-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 3238822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).