N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide

C18H18N2O3S — CID 51297156

IUPACN-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-13-19-24(22,23)17-11-9-16(10-12-17)18(21)20-14(2)15-7-5-4-6-8-15/h1,4-12,14,19H,13H2,2H3,(H,20,21)
InChIKeyLRBPCHJOLKNXTD-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.09
Rot. Bonds6

About N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 51297156) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID51297156
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-13-19-24(22,23)17-11-9-16(10-12-17)18(21)20-14(2)15-7-5-4-6-8-15/h1,4-12,14,19H,13H2,2H3,(H,20,21)
InChIKeyLRBPCHJOLKNXTD-UHFFFAOYSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.09
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

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
3-(prop-2-ynylsulfamoyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 43062333
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 51297156) is N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is LRBPCHJOLKNXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-13-19-24(22,23)17-11-9-16(10-12-17)18(21)20-14(2)15-7-5-4-6-8-15/h1,4-12,14,19H,13H2,2H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 51297156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).