2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

C24H33N3O3S — CID 24680007

IUPAC2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccccc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-17(2)21-8-6-7-9-22(21)25-24(28)20(5)26-12-14-27(15-13-26)31(29,30)23-11-10-18(3)16-19(23)4/h6-11,16-17,20H,12-15H2,1-5H3,(H,25,28)
InChIKeyCJNIVMVSTOEYEI-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 24680007) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID24680007
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccccc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-17(2)21-8-6-7-9-22(21)25-24(28)20(5)26-12-14-27(15-13-26)31(29,30)23-11-10-18(3)16-19(23)4/h6-11,16-17,20H,12-15H2,1-5H3,(H,25,28)
InChIKeyCJNIVMVSTOEYEI-UHFFFAOYSA-N
XLogP3.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680009
(2S)-N-(4-acetylphenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2368604
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 24680018
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46630431
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97067590
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655742
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
1-(1-cyclopropylethyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110708837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (CID 24680007) is 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccccc3C(C)C)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is CJNIVMVSTOEYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-17(2)21-8-6-7-9-22(21)25-24(28)20(5)26-12-14-27(15-13-26)31(29,30)23-11-10-18(3)16-19(23)4/h6-11,16-17,20H,12-15H2,1-5H3,(H,25,28).
What are the key properties of 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 443.61 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24680007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).