N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

C25H27N3O3S — CID 2520104

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H27N3O3S/c29-25(26-23-10-8-20-6-3-7-21(20)16-23)18-27-12-14-28(15-13-27)32(30,31)24-11-9-19-4-1-2-5-22(19)17-24/h1-2,4-5,8-11,16-17H,3,6-7,12-15,18H2,(H,26,29)
InChIKeyPRJHZPCFRDHDPI-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.27
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2520104) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2520104
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H27N3O3S/c29-25(26-23-10-8-20-6-3-7-21(20)16-23)18-27-12-14-28(15-13-27)32(30,31)24-11-9-19-4-1-2-5-22(19)17-24/h1-2,4-5,8-11,16-17H,3,6-7,12-15,18H2,(H,26,29)
InChIKeyPRJHZPCFRDHDPI-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2520104) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is PRJHZPCFRDHDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c29-25(26-23-10-8-20-6-3-7-21(20)16-23)18-27-12-14-28(15-13-27)32(30,31)24-11-9-19-4-1-2-5-22(19)17-24/h1-2,4-5,8-11,16-17H,3,6-7,12-15,18H2,(H,26,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 449.58 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2520104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).