N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide

C14H22N2O4S — CID 3728268

IUPACN-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-20-11-4-9-15-21(18,19)14-7-5-13(6-8-14)16-12(2)17/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyGPIYWWVCTNPJLA-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.74
Rot. Bonds9

About N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide

N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 3728268) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
PubChem CID3728268
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-10-20-11-4-9-15-21(18,19)14-7-5-13(6-8-14)16-12(2)17/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyGPIYWWVCTNPJLA-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide (CID 3728268) is N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide is CCCOCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is GPIYWWVCTNPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-10-20-11-4-9-15-21(18,19)14-7-5-13(6-8-14)16-12(2)17/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide?
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3728268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).