N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide

C22H28N2O3S — CID 108562672

IUPACN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-5-8-21(18(4)13-15)28(26,27)24-11-9-20(10-12-24)23-22(25)19-7-6-16(2)17(3)14-19/h5-8,13-14,20H,9-12H2,1-4H3,(H,23,25)
InChIKeyQLBNXNYWXIZPEU-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide (PubChem CID 108562672) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
PubChem CID108562672
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O3S/c1-15-5-8-21(18(4)13-15)28(26,27)24-11-9-20(10-12-24)23-22(25)19-7-6-16(2)17(3)14-19/h5-8,13-14,20H,9-12H2,1-4H3,(H,23,25)
InChIKeyQLBNXNYWXIZPEU-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108560662
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide (CID 108562672) is N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide?
The InChIKey is QLBNXNYWXIZPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-5-8-21(18(4)13-15)28(26,27)24-11-9-20(10-12-24)23-22(25)19-7-6-16(2)17(3)14-19/h5-8,13-14,20H,9-12H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide?
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108562672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).