N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide

C23H33NO4S — CID 71227721

IUPACN-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide
SMILESCCCCCC(=O)N(CCc1cccc2ccc(OC)cc12)S(=O)(=O)CCCC
InChIInChI=1S/C23H33NO4S/c1-4-6-8-12-23(25)24(29(26,27)17-7-5-2)16-15-20-11-9-10-19-13-14-21(28-3)18-22(19)20/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3
InChIKeyWKPIFFIQHQAMQT-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.93
Rot. Bonds12

About N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide

N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide (PubChem CID 71227721) has the molecular formula C23H33NO4S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide
PubChem CID71227721
Molecular FormulaC23H33NO4S
Molecular Weight419.59 g/mol
Exact Mass419.21
IUPAC NameN-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide
SMILESCCCCCC(=O)N(CCc1cccc2ccc(OC)cc12)S(=O)(=O)CCCC
InChIInChI=1S/C23H33NO4S/c1-4-6-8-12-23(25)24(29(26,27)17-7-5-2)16-15-20-11-9-10-19-13-14-21(28-3)18-22(19)20/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3
InChIKeyWKPIFFIQHQAMQT-UHFFFAOYSA-N
XLogP4.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 170604527
N-(tert-butylsulfamoyl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 71227478
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840
N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
CID 71227732
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide?
The IUPAC name of N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide (CID 71227721) is N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide.
What is the SMILES notation for N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide?
The canonical SMILES for N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide is CCCCCC(=O)N(CCc1cccc2ccc(OC)cc12)S(=O)(=O)CCCC.
What is the InChIKey of N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide?
The InChIKey is WKPIFFIQHQAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4S/c1-4-6-8-12-23(25)24(29(26,27)17-7-5-2)16-15-20-11-9-10-19-13-14-21(28-3)18-22(19)20/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3.
What are the key properties of N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide?
N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide has a molecular weight of 419.59 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]hexanamide is sourced from PubChem (CID 71227721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).