N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C22H26N2O4S — CID 5092136

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3c4ccccc4CC3O)C2)cc1
InChIInChI=1S/C22H26N2O4S/c1-15-8-10-18(11-9-15)29(27,28)24-12-4-6-17(14-24)22(26)23-21-19-7-3-2-5-16(19)13-20(21)25/h2-3,5,7-11,17,20-21,25H,4,6,12-14H2,1H3,(H,23,26)
InChIKeyFKJWAKFVDHHWSF-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.17
Rot. Bonds4

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 5092136) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID5092136
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3c4ccccc4CC3O)C2)cc1
InChIInChI=1S/C22H26N2O4S/c1-15-8-10-18(11-9-15)29(27,28)24-12-4-6-17(14-24)22(26)23-21-19-7-3-2-5-16(19)13-20(21)25/h2-3,5,7-11,17,20-21,25H,4,6,12-14H2,1H3,(H,23,26)
InChIKeyFKJWAKFVDHHWSF-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077453
(3S)-1-(4-methylphenyl)sulfonyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]piperidine-3-carboxamide
CID 125077452
1-(4-methylphenyl)sulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-3-carboxamide
CID 133167945
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765425
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119422310
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765426

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 5092136) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3c4ccccc4CC3O)C2)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FKJWAKFVDHHWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15-8-10-18(11-9-15)29(27,28)24-12-4-6-17(14-24)22(26)23-21-19-7-3-2-5-16(19)13-20(21)25/h2-3,5,7-11,17,20-21,25H,4,6,12-14H2,1H3,(H,23,26).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5092136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).