N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide

C15H26N2O3S — CID 106059710

IUPACN-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-12-13(2)7-8-15(14)20-3/h7-8,12,16-17H,4-6,9-11H2,1-3H3
InChIKeyOWQNXJLLVZTDCL-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.53
Rot. Bonds10

About N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide

N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106059710) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106059710
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-12-13(2)7-8-15(14)20-3/h7-8,12,16-17H,4-6,9-11H2,1-3H3
InChIKeyOWQNXJLLVZTDCL-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.53
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-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-(2-bromo-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076580
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
N-(3-bromo-4-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106067034
N-(4-bromo-3-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076643
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2,6-dimethyl-3-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106071169
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide (CID 106059710) is N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is OWQNXJLLVZTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-12-13(2)7-8-15(14)20-3/h7-8,12,16-17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106059710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).