N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide

C14H22N2O4S — CID 60518791

IUPACN-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCOCC)c1
InChIInChI=1S/C14H22N2O4S/c1-3-10-21(18,19)16-13-7-5-6-12(11-13)14(17)15-8-9-20-4-2/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,15,17)
InChIKeyYOCQFVLVAIXEIK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.60
Rot. Bonds9

About N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide

N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide (PubChem CID 60518791) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
PubChem CID60518791
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCCOCC)c1
InChIInChI=1S/C14H22N2O4S/c1-3-10-21(18,19)16-13-7-5-6-12(11-13)14(17)15-8-9-20-4-2/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,15,17)
InChIKeyYOCQFVLVAIXEIK-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N-[3-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 36655501
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 39925941
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide (CID 60518791) is N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)NCCOCC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is YOCQFVLVAIXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-10-21(18,19)16-13-7-5-6-12(11-13)14(17)15-8-9-20-4-2/h5-7,11,16H,3-4,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide?
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 60518791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).