1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide

C26H33N3O4S — CID 41499726

IUPAC1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-19-8-9-24(20(2)18-19)34(32,33)29-16-12-22(13-17-29)26(31)28-14-10-21(11-15-28)25(30)27-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17H2,1-2H3,(H,27,30)
InChIKeyGAFRHZADBYEHFI-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.58
Rot. Bonds5

About 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41499726) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41499726
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-19-8-9-24(20(2)18-19)34(32,33)29-16-12-22(13-17-29)26(31)28-14-10-21(11-15-28)25(30)27-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17H2,1-2H3,(H,27,30)
InChIKeyGAFRHZADBYEHFI-UHFFFAOYSA-N
XLogP3.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594
N-(2-acetylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067591
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951631
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 41499726) is 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GAFRHZADBYEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-19-8-9-24(20(2)18-19)34(32,33)29-16-12-22(13-17-29)26(31)28-14-10-21(11-15-28)25(30)27-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17H2,1-2H3,(H,27,30).
What are the key properties of 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41499726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).