N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C26H34N2O4S — CID 55903028

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc4c(c3)CCC4)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4S/c1-18-15-19(2)25(20(3)16-18)33(30,31)28-12-9-22(10-13-28)26(29)27-11-14-32-24-8-7-21-5-4-6-23(21)17-24/h7-8,15-17,22H,4-6,9-14H2,1-3H3,(H,27,29)
InChIKeyMJCYESKCGIOOBF-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55903028) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55903028
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc4c(c3)CCC4)CC2)c(C)c1
InChIInChI=1S/C26H34N2O4S/c1-18-15-19(2)25(20(3)16-18)33(30,31)28-12-9-22(10-13-28)26(29)27-11-14-32-24-8-7-21-5-4-6-23(21)17-24/h7-8,15-17,22H,4-6,9-14H2,1-3H3,(H,27,29)
InChIKeyMJCYESKCGIOOBF-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903667
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903275
3-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55904439
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
N-[3-oxo-3-(propan-2-ylamino)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55599753
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
(3S)-N-[2-(3-chloro-4-methylphenoxy)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125071394
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
N-[2-(furan-2-carbonylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43049249

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55903028) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc4c(c3)CCC4)CC2)c(C)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MJCYESKCGIOOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-18-15-19(2)25(20(3)16-18)33(30,31)28-12-9-22(10-13-28)26(29)27-11-14-32-24-8-7-21-5-4-6-23(21)17-24/h7-8,15-17,22H,4-6,9-14H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).