N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide

C24H32N2O5S — CID 50914834

IUPACN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H32N2O5S/c1-17-6-11-20(31-5)21(16-17)32(29,30)26-14-12-24(28,13-15-26)22(27)25-19-9-7-18(8-10-19)23(2,3)4/h6-11,16,28H,12-15H2,1-5H3,(H,25,27)
InChIKeyJQHCOJQNPJMNDC-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.46
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 50914834) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID50914834
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC NameN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H32N2O5S/c1-17-6-11-20(31-5)21(16-17)32(29,30)26-14-12-24(28,13-15-26)22(27)25-19-9-7-18(8-10-19)23(2,3)4/h6-11,16,28H,12-15H2,1-5H3,(H,25,27)
InChIKeyJQHCOJQNPJMNDC-UHFFFAOYSA-N
XLogP3.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-hydroxypiperidine-4-carboxamide
CID 50914698
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 50914407
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
N-(4-tert-butylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113112691
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
ethyl 1-[4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100800227
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 50914834) is N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JQHCOJQNPJMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-17-6-11-20(31-5)21(16-17)32(29,30)26-14-12-24(28,13-15-26)22(27)25-19-9-7-18(8-10-19)23(2,3)4/h6-11,16,28H,12-15H2,1-5H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50914834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).