N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C14H22N2O4S — CID 51180667

IUPACN-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1
InChIInChI=1S/C14H22N2O4S/c1-15-21(18,19)13-7-4-12(5-8-13)6-9-14(17)16-10-3-11-20-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3,(H,16,17)
InChIKeyXCQYKKVQGQEHQO-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.68
Rot. Bonds9

About N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 51180667) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID51180667
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1
InChIInChI=1S/C14H22N2O4S/c1-15-21(18,19)13-7-4-12(5-8-13)6-9-14(17)16-10-3-11-20-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3,(H,16,17)
InChIKeyXCQYKKVQGQEHQO-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
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-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 41262125
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
3-[4-(methylsulfamoyl)phenyl]-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393763
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55947271
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111406253
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 51180667) is N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is XCQYKKVQGQEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-21(18,19)13-7-4-12(5-8-13)6-9-14(17)16-10-3-11-20-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 51180667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).