N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide

C26H29N3O3S — CID 39230100

IUPACN-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O3S/c1-27(20-22-9-4-2-5-10-22)26(30)24-13-8-14-25(19-24)33(31,32)29-17-15-28(16-18-29)21-23-11-6-3-7-12-23/h2-14,19H,15-18,20-21H2,1H3
InChIKeyVBPYPFUXUYISFU-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.47
Rot. Bonds7

About N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide

N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide (PubChem CID 39230100) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
PubChem CID39230100
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O3S/c1-27(20-22-9-4-2-5-10-22)26(30)24-13-8-14-25(19-24)33(31,32)29-17-15-28(16-18-29)21-23-11-6-3-7-12-23/h2-14,19H,15-18,20-21H2,1H3
InChIKeyVBPYPFUXUYISFU-UHFFFAOYSA-N
XLogP3.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 25163092
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 24819858
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 25161597
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
3-(4-benzylpiperazin-1-yl)sulfonyl-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 52551951
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
3-(4-benzylpiperazin-1-yl)sulfonyl-N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 55608837
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24687741
N,N-dibenzyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918944
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The IUPAC name of N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide (CID 39230100) is N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
The InChIKey is VBPYPFUXUYISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-27(20-22-9-4-2-5-10-22)26(30)24-13-8-14-25(19-24)33(31,32)29-17-15-28(16-18-29)21-23-11-6-3-7-12-23/h2-14,19H,15-18,20-21H2,1H3.
What are the key properties of N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide?
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide has a molecular weight of 463.60 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 39230100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).