4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid

C26H37N3O5S — CID 53496160

IUPAC4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NCC3CCC(C(=O)O)CC3)cccc12
InChIInChI=1S/C26H37N3O5S/c1-29(2)23-10-6-9-22-21(23)8-7-11-24(22)35(33,34)28-17-5-3-4-12-25(30)27-18-19-13-15-20(16-14-19)26(31)32/h6-11,19-20,28H,3-5,12-18H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyYEAOWCYVOHJCOT-UHFFFAOYSA-N
MW503.67 g/mol
LogP3.75
Rot. Bonds12

About 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid

4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 53496160) has the molecular formula C26H37N3O5S and a molecular weight of 503.67 g/mol. Its IUPAC name is 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID53496160
Molecular FormulaC26H37N3O5S
Molecular Weight503.67 g/mol
Exact Mass503.25
IUPAC Name4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NCC3CCC(C(=O)O)CC3)cccc12
InChIInChI=1S/C26H37N3O5S/c1-29(2)23-10-6-9-22-21(23)8-7-11-24(22)35(33,34)28-17-5-3-4-12-25(30)27-18-19-13-15-20(16-14-19)26(31)32/h6-11,19-20,28H,3-5,12-18H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyYEAOWCYVOHJCOT-UHFFFAOYSA-N
XLogP3.75
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[2-(2-hydroxyethoxymethoxy)ethyl]undecanamide
CID 58954547
(4-isocyano-4-methylcyclohexyl) 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoate
CID 59859522
N-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 70658039
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 68881212
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-[6-[(3S,4R,5R)-3-fluoro-4,5-dihydroxy-3-(hydroxymethyl)piperidin-1-yl]hexyl]naphthalene-1-sulfonamide
CID 132555044

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid (CID 53496160) is 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid is CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NCC3CCC(C(=O)O)CC3)cccc12.
What is the InChIKey of 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YEAOWCYVOHJCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5S/c1-29(2)23-10-6-9-22-21(23)8-7-11-24(22)35(33,34)28-17-5-3-4-12-25(30)27-18-19-13-15-20(16-14-19)26(31)32/h6-11,19-20,28H,3-5,12-18H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 503.67 g/mol, XLogP of 3.75, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 53496160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).