N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide

C23H30N2O3S — CID 108561824

IUPACN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-17-6-5-7-18(16-17)22(26)24-20-12-14-25(15-13-20)29(27,28)21-10-8-19(9-11-21)23(2,3)4/h5-11,16,20H,12-15H2,1-4H3,(H,24,26)
InChIKeyVTTAEQRWZPFXLI-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide

N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (PubChem CID 108561824) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
PubChem CID108561824
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N2O3S/c1-17-6-5-7-18(16-17)22(26)24-20-12-14-25(15-13-20)29(27,28)21-10-8-19(9-11-21)23(2,3)4/h5-11,16,20H,12-15H2,1-4H3,(H,24,26)
InChIKeyVTTAEQRWZPFXLI-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (CID 108561824) is N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The InChIKey is VTTAEQRWZPFXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-6-5-7-18(16-17)22(26)24-20-12-14-25(15-13-20)29(27,28)21-10-8-19(9-11-21)23(2,3)4/h5-11,16,20H,12-15H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide has a molecular weight of 414.57 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 108561824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).