2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

C24H32N4O3S — CID 26626254

IUPAC2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N4O3S/c1-26(2)22-9-6-19(7-10-22)17-25-24(29)18-27-12-14-28(15-13-27)32(30,31)23-11-8-20-4-3-5-21(20)16-23/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H,25,29)
InChIKeyONAODMBPVJBKJT-UHFFFAOYSA-N
MW456.61 g/mol
LogP1.86
Rot. Bonds7

About 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 26626254) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID26626254
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N4O3S/c1-26(2)22-9-6-19(7-10-22)17-25-24(29)18-27-12-14-28(15-13-27)32(30,31)23-11-8-20-4-3-5-21(20)16-23/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H,25,29)
InChIKeyONAODMBPVJBKJT-UHFFFAOYSA-N
XLogP1.86
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 26574101
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9258084
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 55362361
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
N-tert-butyl-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 8843443
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9257793
N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 9289266
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 17492761
4-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682484
N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41253691
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9304586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 26626254) is 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is ONAODMBPVJBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-26(2)22-9-6-19(7-10-22)17-25-24(29)18-27-12-14-28(15-13-27)32(30,31)23-11-8-20-4-3-5-21(20)16-23/h6-11,16H,3-5,12-15,17-18H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 456.61 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 26626254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).