N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide

C19H26N2O3S — CID 16890891

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-21(2)18-10-6-16(7-11-18)5-4-14-20-25(22,23)15-17-8-12-19(24-3)13-9-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyOFISVPMUFOYYOT-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.81
Rot. Bonds9

About N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide

N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide (PubChem CID 16890891) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
PubChem CID16890891
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-21(2)18-10-6-16(7-11-18)5-4-14-20-25(22,23)15-17-8-12-19(24-3)13-9-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyOFISVPMUFOYYOT-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 34122986
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55619465
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide (CID 16890891) is N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide is COc1ccc(CS(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is OFISVPMUFOYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-21(2)18-10-6-16(7-11-18)5-4-14-20-25(22,23)15-17-8-12-19(24-3)13-9-17/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 16890891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).