N-(4-acetamidophenyl)-2-propylsulfonylbenzamide

C18H20N2O4S — CID 17224883

IUPACN-(4-acetamidophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-25(23,24)17-7-5-4-6-16(17)18(22)20-15-10-8-14(9-11-15)19-13(2)21/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBQWPITBWLABKDQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.08
Rot. Bonds6

About N-(4-acetamidophenyl)-2-propylsulfonylbenzamide

N-(4-acetamidophenyl)-2-propylsulfonylbenzamide (PubChem CID 17224883) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-propylsulfonylbenzamide
PubChem CID17224883
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-acetamidophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-25(23,24)17-7-5-4-6-16(17)18(22)20-15-10-8-14(9-11-15)19-13(2)21/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBQWPITBWLABKDQ-UHFFFAOYSA-N
XLogP3.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
CID 55916096
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-propylsulfonylbenzamide
CID 39942601
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-propylsulfonylbenzamide (CID 17224883) is N-(4-acetamidophenyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-propylsulfonylbenzamide?
The InChIKey is BQWPITBWLABKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-12-25(23,24)17-7-5-4-6-16(17)18(22)20-15-10-8-14(9-11-15)19-13(2)21/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2-propylsulfonylbenzamide?
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).