(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

C21H26N2O3S — CID 100779953

IUPAC(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-10-11-17(2)20(13-16)27(25,26)23-12-6-9-19(15-23)21(24)22-14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyWQXDQTIBONZLHW-LJQANCHMSA-N
MW386.52 g/mol
LogP3.02
Rot. Bonds5

About (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100779953) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100779953
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-10-11-17(2)20(13-16)27(25,26)23-12-6-9-19(15-23)21(24)22-14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyWQXDQTIBONZLHW-LJQANCHMSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 100779760
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
(3R)-N,N-dibenzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780190
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
(4-benzylpiperidin-1-yl)-[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 100780199
(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780299
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 133254929

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 100779953) is (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WQXDQTIBONZLHW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-10-11-17(2)20(13-16)27(25,26)23-12-6-9-19(15-23)21(24)22-14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100779953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).