N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide

C17H23N3O4S — CID 23378485

IUPACN-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H23N3O4S/c1-20(2)15-8-4-7-14-13(15)6-5-9-16(14)25(22,23)19-11-10-18-17(21)12-24-3/h4-9,19H,10-12H2,1-3H3,(H,18,21)
InChIKeyBFSADBLNIMVGTD-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.95
Rot. Bonds8

About N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide

N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide (PubChem CID 23378485) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
PubChem CID23378485
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H23N3O4S/c1-20(2)15-8-4-7-14-13(15)6-5-9-16(14)25(22,23)19-11-10-18-17(21)12-24-3/h4-9,19H,10-12H2,1-3H3,(H,18,21)
InChIKeyBFSADBLNIMVGTD-UHFFFAOYSA-N
XLogP0.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.95
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

5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408
[1-[2-[2-(benzenecarbonothioylsulfanyl)propanoylamino]ethylamino]-1-oxopropan-2-yl] benzenecarbodithioate;[1-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino]-1-oxopropan-2-yl] benzenecarbodithioate;methane
CID 158053537
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
tert-butyl 2-amino-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoate
CID 67601202
11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
CID 58954547
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide (CID 23378485) is N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide is COCC(=O)NCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide?
The InChIKey is BFSADBLNIMVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-20(2)15-8-4-7-14-13(15)6-5-9-16(14)25(22,23)19-11-10-18-17(21)12-24-3/h4-9,19H,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide?
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide has a molecular weight of 365.46 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 23378485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).