11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide

C28H45N3O6S — CID 58954547

IUPAC11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCCCC(=O)NCCOCOCCO)cccc12
InChIInChI=1S/C28H45N3O6S/c1-31(2)26-15-11-14-25-24(26)13-12-16-27(25)38(34,35)30-18-10-8-6-4-3-5-7-9-17-28(33)29-19-21-36-23-37-22-20-32/h11-16,30,32H,3-10,17-23H2,1-2H3,(H,29,33)
InChIKeyPKKHGURUNNJPMM-UHFFFAOYSA-N
MW551.75 g/mol
LogP3.79
Rot. Bonds21

About 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide

11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide (PubChem CID 58954547) has the molecular formula C28H45N3O6S and a molecular weight of 551.75 g/mol. Its IUPAC name is 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide.

Molecular Properties

Compound Name11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
PubChem CID58954547
Molecular FormulaC28H45N3O6S
Molecular Weight551.75 g/mol
Exact Mass551.30
IUPAC Name11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCCCC(=O)NCCOCOCCO)cccc12
InChIInChI=1S/C28H45N3O6S/c1-31(2)26-15-11-14-25-24(26)13-12-16-27(25)38(34,35)30-18-10-8-6-4-3-5-7-9-17-28(33)29-19-21-36-23-37-22-20-32/h11-16,30,32H,3-10,17-23H2,1-2H3,(H,29,33)
InChIKeyPKKHGURUNNJPMM-UHFFFAOYSA-N
XLogP3.79
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.75
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496160
N-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 70658039
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
(2S)-2-amino-6-[[(2S)-2-amino-6-[[(2S)-2,6-bis[[(2S)-2,6-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[[(2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 71699722
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-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368

Frequently Asked Questions

What is the IUPAC name of 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide?
The IUPAC name of 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide (CID 58954547) is 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide.
What is the SMILES notation for 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide?
The canonical SMILES for 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide is CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCCCC(=O)NCCOCOCCO)cccc12.
What is the InChIKey of 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide?
The InChIKey is PKKHGURUNNJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O6S/c1-31(2)26-15-11-14-25-24(26)13-12-16-27(25)38(34,35)30-18-10-8-6-4-3-5-7-9-17-28(33)29-19-21-36-23-37-22-20-32/h11-16,30,32H,3-10,17-23H2,1-2H3,(H,29,33).
What are the key properties of 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide?
11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide has a molecular weight of 551.75 g/mol, XLogP of 3.79, 21 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide is sourced from PubChem (CID 58954547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).