N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H32N2O4S — CID 27672888

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-16-6-9-22(17(2)14-16)31(29,30)26-12-10-18(11-13-26)23(28)25-20-15-19(24(3,4)5)7-8-21(20)27/h6-9,14-15,18,27H,10-13H2,1-5H3,(H,25,28)
InChIKeyHTJOVDHBJFIULK-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.35
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 27672888) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID27672888
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)c(C)c1
InChIInChI=1S/C24H32N2O4S/c1-16-6-9-22(17(2)14-16)31(29,30)26-12-10-18(11-13-26)23(28)25-20-15-19(24(3,4)5)7-8-21(20)27/h6-9,14-15,18,27H,10-13H2,1-5H3,(H,25,28)
InChIKeyHTJOVDHBJFIULK-UHFFFAOYSA-N
XLogP4.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(2-acetylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067591
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594
1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
N-(1-amino-2-methylpropan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119522375
N-(dicyclopropylmethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24620701

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 27672888) is N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)c(C)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HTJOVDHBJFIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-16-6-9-22(17(2)14-16)31(29,30)26-12-10-18(11-13-26)23(28)25-20-15-19(24(3,4)5)7-8-21(20)27/h6-9,14-15,18,27H,10-13H2,1-5H3,(H,25,28).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27672888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).