4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide

C28H33N3O3S — CID 43923946

IUPAC4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4C(C)C)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c1-21(2)26-6-4-5-7-27(26)29-28(32)24-12-10-23(11-13-24)20-30-16-18-31(19-17-30)35(33,34)25-14-8-22(3)9-15-25/h4-15,21H,16-20H2,1-3H3,(H,29,32)
InChIKeyYSBMWHZXMCPTDG-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.88
Rot. Bonds7

About 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide

4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 43923946) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID43923946
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4C(C)C)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c1-21(2)26-6-4-5-7-27(26)29-28(32)24-12-10-23(11-13-24)20-30-16-18-31(19-17-30)35(33,34)25-14-8-22(3)9-15-25/h4-15,21H,16-20H2,1-3H3,(H,29,32)
InChIKeyYSBMWHZXMCPTDG-UHFFFAOYSA-N
XLogP4.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
methyl 2-methyl-3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43924419
N-(4-iodo-2-methylphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43923865
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100565556
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43924057
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99941907
N-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34684171
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-propan-2-ylbenzamide
CID 43918409
N-(3,4-difluorophenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 38095674
methyl 3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 38105840
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100515994

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide (CID 43923946) is 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4C(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is YSBMWHZXMCPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-21(2)26-6-4-5-7-27(26)29-28(32)24-12-10-23(11-13-24)20-30-16-18-31(19-17-30)35(33,34)25-14-8-22(3)9-15-25/h4-15,21H,16-20H2,1-3H3,(H,29,32).
What are the key properties of 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide?
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 491.66 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 43923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).