N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide

C26H33N3O4S — CID 91025194

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)N[C@H]2CCc3ccccc32)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-16-12-17(2)24(18(3)13-16)34(32,33)29-15-26(4,5)28-25(31)22(29)14-23(30)27-21-11-10-19-8-6-7-9-20(19)21/h6-9,12-13,21-22H,10-11,14-15H2,1-5H3,(H,27,30)(H,28,31)/t21-,22+/m0/s1
InChIKeyWJKDLHIMHXTEEA-FCHUYYIVSA-N
MW483.63 g/mol
LogP3.07
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide (PubChem CID 91025194) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
PubChem CID91025194
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)N[C@H]2CCc3ccccc32)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-16-12-17(2)24(18(3)13-16)34(32,33)29-15-26(4,5)28-25(31)22(29)14-23(30)27-21-11-10-19-8-6-7-9-20(19)21/h6-9,12-13,21-22H,10-11,14-15H2,1-5H3,(H,27,30)(H,28,31)/t21-,22+/m0/s1
InChIKeyWJKDLHIMHXTEEA-FCHUYYIVSA-N
XLogP3.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide with MolForge

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Related Compounds

2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]-N-[(1R)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 69077465
2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
CID 71132094
N-[(1R)-5-[(tert-butylamino)methyl]-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 69079157
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98303899
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95183078
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97309302
N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide
CID 11227202
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-4-ylacetamide
CID 54910439
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 42924303
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2106963
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide (CID 91025194) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(=O)N[C@H]2CCc3ccccc32)c(C)c1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The InChIKey is WJKDLHIMHXTEEA-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-16-12-17(2)24(18(3)13-16)34(32,33)29-15-26(4,5)28-25(31)22(29)14-23(30)27-21-11-10-19-8-6-7-9-20(19)21/h6-9,12-13,21-22H,10-11,14-15H2,1-5H3,(H,27,30)(H,28,31)/t21-,22+/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide is sourced from PubChem (CID 91025194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).