3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide

C24H22N2O3S — CID 55510278

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-26(22-15-7-4-8-16-22)30(28,29)23-17-9-14-21(19-23)24(27)25-18-10-13-20-11-5-3-6-12-20/h3-9,11-12,14-17,19H,2,18H2,1H3,(H,25,27)
InChIKeyHZTCHGMNIZEMNA-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.68
Rot. Bonds6

About 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide

3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 55510278) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID55510278
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-26(22-15-7-4-8-16-22)30(28,29)23-17-9-14-21(19-23)24(27)25-18-10-13-20-11-5-3-6-12-20/h3-9,11-12,14-17,19H,2,18H2,1H3,(H,25,27)
InChIKeyHZTCHGMNIZEMNA-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
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CID 31281999
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
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3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(1,3-benzothiazol-2-ylmethyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 38136843
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 24672518
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55572752
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide (CID 55510278) is 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC#Cc2ccccc2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is HZTCHGMNIZEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-26(22-15-7-4-8-16-22)30(28,29)23-17-9-14-21(19-23)24(27)25-18-10-13-20-11-5-3-6-12-20/h3-9,11-12,14-17,19H,2,18H2,1H3,(H,25,27).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 55510278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).