N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide

C15H26N2O3S — CID 106053295

IUPACN-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-7-8-15(20-3)13(2)12-14/h7-8,12,16-17H,4-6,9-11H2,1-3H3
InChIKeyQBDZIFIGHAPULD-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.53
Rot. Bonds10

About N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide

N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106053295) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106053295
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-7-8-15(20-3)13(2)12-14/h7-8,12,16-17H,4-6,9-11H2,1-3H3
InChIKeyQBDZIFIGHAPULD-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'}

Analyze N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide (CID 106053295) is N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is QBDZIFIGHAPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-9-16-10-5-6-11-21(18,19)17-14-7-8-15(20-3)13(2)12-14/h7-8,12,16-17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide?
N-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106053295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).