3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide

C18H18N2O3S — CID 24672518

IUPAC3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C18H18N2O3S/c1-2-24(22,23)20-17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,20H,2,13H2,1H3,(H,19,21)
InChIKeyHJTHLIRKZKQKPC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.23
Rot. Bonds5

About 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide

3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 24672518) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID24672518
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C18H18N2O3S/c1-2-24(22,23)20-17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,20H,2,13H2,1H3,(H,19,21)
InChIKeyHJTHLIRKZKQKPC-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
N-(2-ethylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36859745
3-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548409
N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide (CID 24672518) is 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide is CCS(=O)(=O)Nc1cccc(C(=O)NCC#Cc2ccccc2)c1.
What is the InChIKey of 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is HJTHLIRKZKQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-2-24(22,23)20-17-12-6-11-16(14-17)18(21)19-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14,20H,2,13H2,1H3,(H,19,21).
What are the key properties of 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide?
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 24672518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).