4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide

C19H26N2O4S — CID 112981124

IUPAC4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C19H26N2O4S/c1-14-13-19(15(2)12-18(14)25-4)26(22,23)21-17-8-6-16(7-9-17)20-10-5-11-24-3/h6-9,12-13,20-21H,5,10-11H2,1-4H3
InChIKeyVHOIXNLIYCMPAC-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.56
Rot. Bonds9

About 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide

4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 112981124) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID112981124
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1
InChIInChI=1S/C19H26N2O4S/c1-14-13-19(15(2)12-18(14)25-4)26(22,23)21-17-8-6-16(7-9-17)20-10-5-11-24-3/h6-9,12-13,20-21H,5,10-11H2,1-4H3
InChIKeyVHOIXNLIYCMPAC-UHFFFAOYSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
2-methoxy-N-[6-(3-methoxypropylamino)pyridazin-3-yl]-4,5-dimethylbenzenesulfonamide
CID 113039614
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide (CID 112981124) is 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide is COCCCNc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1.
What is the InChIKey of 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is VHOIXNLIYCMPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14-13-19(15(2)12-18(14)25-4)26(22,23)21-17-8-6-16(7-9-17)20-10-5-11-24-3/h6-9,12-13,20-21H,5,10-11H2,1-4H3.
What are the key properties of 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide?
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112981124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).