4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine

C14H24N2O3S — CID 110628005

IUPAC4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
SMILESCCCNS(=O)(=O)NCCCCc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-11-15-20(17,18)16-12-5-4-6-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKeyXVMWDNYUXUBFEY-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.85
Rot. Bonds10

About 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine

4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine (PubChem CID 110628005) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
PubChem CID110628005
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
SMILESCCCNS(=O)(=O)NCCCCc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-11-15-20(17,18)16-12-5-4-6-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKeyXVMWDNYUXUBFEY-UHFFFAOYSA-N
XLogP1.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
CID 110627484
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16890891
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]pentan-1-amine
CID 143182357
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine (CID 110628005) is 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine is CCCNS(=O)(=O)NCCCCc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine?
The InChIKey is XVMWDNYUXUBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-11-15-20(17,18)16-12-5-4-6-13-7-9-14(19-2)10-8-13/h7-10,15-16H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine?
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine has a molecular weight of 300.42 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine is sourced from PubChem (CID 110628005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).