N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C26H43N3O5S — CID 155460184

IUPACN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCNC(C)(C)C)cccc12
InChIInChI=1S/C26H43N3O5S/c1-26(2,3)27-14-8-16-32-18-20-34-21-19-33-17-9-15-28-35(30,31)25-13-7-10-22-23(25)11-6-12-24(22)29(4)5/h6-7,10-13,27-28H,8-9,14-21H2,1-5H3
InChIKeyXNQKSXYDFKABAO-UHFFFAOYSA-N
MW509.71 g/mol
LogP3.40
Rot. Bonds17

About N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 155460184) has the molecular formula C26H43N3O5S and a molecular weight of 509.71 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID155460184
Molecular FormulaC26H43N3O5S
Molecular Weight509.71 g/mol
Exact Mass509.29
IUPAC NameN-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCNC(C)(C)C)cccc12
InChIInChI=1S/C26H43N3O5S/c1-26(2,3)27-14-8-16-32-18-20-34-21-19-33-17-9-15-28-35(30,31)25-13-7-10-22-23(25)11-6-12-24(22)29(4)5/h6-7,10-13,27-28H,8-9,14-21H2,1-5H3
InChIKeyXNQKSXYDFKABAO-UHFFFAOYSA-N
XLogP3.40
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.71
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
N-[2-(2-aminooxyethoxy)ethoxy]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10970664
N-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 101251643
N-[3-[2-[3-(4-amino-2-methylbenzo[g]benzimidazol-1-yl)propoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58735342
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 155460184) is N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCOCCOCCOCCCNC(C)(C)C)cccc12.
What is the InChIKey of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is XNQKSXYDFKABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O5S/c1-26(2,3)27-14-8-16-32-18-20-34-21-19-33-17-9-15-28-35(30,31)25-13-7-10-22-23(25)11-6-12-24(22)29(4)5/h6-7,10-13,27-28H,8-9,14-21H2,1-5H3.
What are the key properties of N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 509.71 g/mol, XLogP of 3.40, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 155460184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).