N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

C25H32N2O3S — CID 30837294

IUPACN-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H32N2O3S/c1-25(2,3)22-9-4-5-10-23(22)26-24(28)19-13-15-27(16-14-19)31(29,30)21-12-11-18-7-6-8-20(18)17-21/h4-5,9-12,17,19H,6-8,13-16H2,1-3H3,(H,26,28)
InChIKeyJEZBOYCLFFKEFF-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.51
Rot. Bonds4

About N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 30837294) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID30837294
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H32N2O3S/c1-25(2,3)22-9-4-5-10-23(22)26-24(28)19-13-15-27(16-14-19)31(29,30)21-12-11-18-7-6-8-20(18)17-21/h4-5,9-12,17,19H,6-8,13-16H2,1-3H3,(H,26,28)
InChIKeyJEZBOYCLFFKEFF-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30854662
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30885037
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 46807195
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-(1H-indazol-7-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 34200797

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (CID 30837294) is N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is JEZBOYCLFFKEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-25(2,3)22-9-4-5-10-23(22)26-24(28)19-13-15-27(16-14-19)31(29,30)21-12-11-18-7-6-8-20(18)17-21/h4-5,9-12,17,19H,6-8,13-16H2,1-3H3,(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 30837294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).