N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide

C17H20N2O3S — CID 36859745

IUPACN-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)CC)c1
InChIInChI=1S/C17H20N2O3S/c1-3-13-8-5-6-11-16(13)18-17(20)14-9-7-10-15(12-14)19-23(21,22)4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyICIGUUKHGVTQAG-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.26
Rot. Bonds6

About N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide

N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide (PubChem CID 36859745) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
PubChem CID36859745
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)CC)c1
InChIInChI=1S/C17H20N2O3S/c1-3-13-8-5-6-11-16(13)18-17(20)14-9-7-10-15(12-14)19-23(21,22)4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyICIGUUKHGVTQAG-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
N-(2-ethylphenyl)-3-formamidobenzamide
CID 168654559
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
N-(3-chloro-2-methylphenyl)-3-(propylsulfonylamino)benzamide
CID 36709710
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide (CID 36859745) is N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide is CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)CC)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide?
The InChIKey is ICIGUUKHGVTQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-13-8-5-6-11-16(13)18-17(20)14-9-7-10-15(12-14)19-23(21,22)4-2/h5-12,19H,3-4H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide?
N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide has a molecular weight of 332.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 36859745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).