3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide

C24H28N4O3S — CID 99967054

IUPAC3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-25-32(30,31)23-17-19(11-12-22(23)28-15-13-27(2)14-16-28)24(29)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17,25H,3,13-16H2,1-2H3,(H,26,29)
InChIKeyGLSCSOUOOGYKJS-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.14
Rot. Bonds6

About 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide

3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide (PubChem CID 99967054) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
PubChem CID99967054
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide
SMILESCCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-25-32(30,31)23-17-19(11-12-22(23)28-15-13-27(2)14-16-28)24(29)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17,25H,3,13-16H2,1-2H3,(H,26,29)
InChIKeyGLSCSOUOOGYKJS-UHFFFAOYSA-N
XLogP3.14
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
N-ethyl-2-(4-methylpiperazin-1-yl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 99967080
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
N-(4-iodophenyl)-4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)benzamide
CID 99966997
8-(4-methylpiperazin-1-yl)-N-phenylnaphthalene-2-carboxamide
CID 54247739
4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55541273
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
CID 21430500
N-naphthalen-1-yl-3-nitro-4-piperidin-1-ylbenzamide
CID 2980005
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide (CID 99967054) is 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide is CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1N1CCN(C)CC1.
What is the InChIKey of 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide?
The InChIKey is GLSCSOUOOGYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-25-32(30,31)23-17-19(11-12-22(23)28-15-13-27(2)14-16-28)24(29)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17,25H,3,13-16H2,1-2H3,(H,26,29).
What are the key properties of 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide?
3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 99967054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).