3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide

C20H25N3O3S — CID 109064326

IUPAC3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-11-13-23(14-12-22)27(25,26)19-6-4-5-17(15-19)20(24)21-18-9-7-16(2)8-10-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyOIJRWZHHANUUSS-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide

3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide (PubChem CID 109064326) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
PubChem CID109064326
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-11-13-23(14-12-22)27(25,26)19-6-4-5-17(15-19)20(24)21-18-9-7-16(2)8-10-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyOIJRWZHHANUUSS-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide
CID 46644357
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 26915695
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 19257272

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide (CID 109064326) is 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide is CCN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
The InChIKey is OIJRWZHHANUUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-22-11-13-23(14-12-22)27(25,26)19-6-4-5-17(15-19)20(24)21-18-9-7-16(2)8-10-18/h4-10,15H,3,11-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide?
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 109064326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).