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

C23H30N2O4S — CID 50914407

IUPACN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-17-7-5-6-8-20(17)30(28,29)25-15-13-23(27,14-16-25)21(26)24-19-11-9-18(10-12-19)22(2,3)4/h5-12,27H,13-16H2,1-4H3,(H,24,26)
InChIKeyMIXWUUCKFZMUNY-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.45
Rot. Bonds4

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

N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 50914407) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID50914407
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H30N2O4S/c1-17-7-5-6-8-20(17)30(28,29)25-15-13-23(27,14-16-25)21(26)24-19-11-9-18(10-12-19)22(2,3)4/h5-12,27H,13-16H2,1-4H3,(H,24,26)
InChIKeyMIXWUUCKFZMUNY-UHFFFAOYSA-N
XLogP3.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 50914834
N-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50914983
N-(4-tert-butylphenyl)-1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-hydroxypiperidine-4-carboxamide
CID 50914698
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
1-(2-chlorophenyl)sulfonyl-4-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 51001653
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 50914407) is N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccccc1S(=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-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MIXWUUCKFZMUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-7-5-6-8-20(17)30(28,29)25-15-13-23(27,14-16-25)21(26)24-19-11-9-18(10-12-19)22(2,3)4/h5-12,27H,13-16H2,1-4H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-hydroxy-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 50914407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).