N-(3-benzylsulfonylpropyl)-4-phenylbenzamide

C23H23NO3S — CID 55842064

IUPACN-(3-benzylsulfonylpropyl)-4-phenylbenzamide
SMILESO=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c25-23(22-14-12-21(13-15-22)20-10-5-2-6-11-20)24-16-7-17-28(26,27)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,24,25)
InChIKeyRNYQOHOMMJNVAK-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.09
Rot. Bonds8

About N-(3-benzylsulfonylpropyl)-4-phenylbenzamide

N-(3-benzylsulfonylpropyl)-4-phenylbenzamide (PubChem CID 55842064) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(3-benzylsulfonylpropyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-benzylsulfonylpropyl)-4-phenylbenzamide
PubChem CID55842064
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(3-benzylsulfonylpropyl)-4-phenylbenzamide
SMILESO=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c25-23(22-14-12-21(13-15-22)20-10-5-2-6-11-20)24-16-7-17-28(26,27)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,24,25)
InChIKeyRNYQOHOMMJNVAK-UHFFFAOYSA-N
XLogP4.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzylsulfonylpropyl)-2-methylbenzamide
CID 47055994
N-(3-benzylsulfonylpropyl)-3-methoxybenzamide
CID 86982137
N-butyl-4-phenylbenzamide
CID 3637649
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
4-(3-benzylsulfonylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672800
[2-(3-benzylsulfonylpropylamino)-2-oxoethyl] acetate
CID 166191912
1-(3-benzylsulfonylpropyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975576
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-(3-benzylsulfonylpropyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 86982130
1-(3-benzylsulfonylpropyl)-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244981
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
CID 119950005
N-(3-benzylsulfonylpropyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55841818

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfonylpropyl)-4-phenylbenzamide?
The IUPAC name of N-(3-benzylsulfonylpropyl)-4-phenylbenzamide (CID 55842064) is N-(3-benzylsulfonylpropyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-benzylsulfonylpropyl)-4-phenylbenzamide?
The canonical SMILES for N-(3-benzylsulfonylpropyl)-4-phenylbenzamide is O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-benzylsulfonylpropyl)-4-phenylbenzamide?
The InChIKey is RNYQOHOMMJNVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c25-23(22-14-12-21(13-15-22)20-10-5-2-6-11-20)24-16-7-17-28(26,27)18-19-8-3-1-4-9-19/h1-6,8-15H,7,16-18H2,(H,24,25).
What are the key properties of N-(3-benzylsulfonylpropyl)-4-phenylbenzamide?
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfonylpropyl)-4-phenylbenzamide is sourced from PubChem (CID 55842064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).