N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide

C23H20N2O3S — CID 26010937

IUPACN-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
SMILESC#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C23H20N2O3S/c1-3-18-9-7-13-21(15-18)24-23(26)20-12-8-14-22(16-20)29(27,28)25-17(2)19-10-5-4-6-11-19/h1,4-17,25H,2H3,(H,24,26)/t17-/m1/s1
InChIKeyAMMLHVUWJSESMY-QGZVFWFLSA-N
MW404.49 g/mol
LogP3.96
Rot. Bonds6

About N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide

N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide (PubChem CID 26010937) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
PubChem CID26010937
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
SMILESC#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C23H20N2O3S/c1-3-18-9-7-13-21(15-18)24-23(26)20-12-8-14-22(16-20)29(27,28)25-17(2)19-10-5-4-6-11-19/h1,4-17,25H,2H3,(H,24,26)/t17-/m1/s1
InChIKeyAMMLHVUWJSESMY-QGZVFWFLSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.96
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-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-(1-phenylethylsulfamoyl)-N-quinolin-6-ylbenzamide
CID 78887682
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide
CID 18229319
N-[2-(dimethylamino)-3-pyridinyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 112830987

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The IUPAC name of N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide (CID 26010937) is N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The canonical SMILES for N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide is C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
The InChIKey is AMMLHVUWJSESMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-3-18-9-7-13-21(15-18)24-23(26)20-12-8-14-22(16-20)29(27,28)25-17(2)19-10-5-4-6-11-19/h1,4-17,25H,2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide?
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 26010937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).