1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide

C22H28N2O3S — CID 133254929

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)NC(C)c3ccccc3)C2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-11-12-17(2)21(14-16)28(26,27)24-13-7-10-20(15-24)22(25)23-18(3)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,20H,7,10,13,15H2,1-3H3,(H,23,25)
InChIKeyRWAGAZNJXBRREJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 133254929) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID133254929
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)NC(C)c3ccccc3)C2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-11-12-17(2)21(14-16)28(26,27)24-13-7-10-20(15-24)22(25)23-18(3)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,20H,7,10,13,15H2,1-3H3,(H,23,25)
InChIKeyRWAGAZNJXBRREJ-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780299
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40647482
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125062280
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide (CID 133254929) is 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)NC(C)c3ccccc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is RWAGAZNJXBRREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-11-12-17(2)21(14-16)28(26,27)24-13-7-10-20(15-24)22(25)23-18(3)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,18,20H,7,10,13,15H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133254929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).