4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid

C24H31N3O4S — CID 19874767

IUPAC4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCn1ccnc1
InChIInChI=1S/C24H31N3O4S/c28-24(29)13-10-20(7-5-16-27-17-15-25-19-27)6-3-4-14-26-32(30,31)23-12-11-21-8-1-2-9-22(21)18-23/h1-2,8-9,11-12,15,17-20,26H,3-7,10,13-14,16H2,(H,28,29)
InChIKeyZUWYMEVDZGEPEG-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.45
Rot. Bonds14

About 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid

4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid (PubChem CID 19874767) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid
PubChem CID19874767
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCn1ccnc1
InChIInChI=1S/C24H31N3O4S/c28-24(29)13-10-20(7-5-16-27-17-15-25-19-27)6-3-4-14-26-32(30,31)23-12-11-21-8-1-2-9-22(21)18-23/h1-2,8-9,11-12,15,17-20,26H,3-7,10,13-14,16H2,(H,28,29)
InChIKeyZUWYMEVDZGEPEG-UHFFFAOYSA-N
XLogP4.45
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.45
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

8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid
CID 19874702
8-(naphthalen-2-ylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid
CID 54475014
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid
CID 10321764
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid (CID 19874767) is 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid is O=C(O)CCC(CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid?
The InChIKey is ZUWYMEVDZGEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c28-24(29)13-10-20(7-5-16-27-17-15-25-19-27)6-3-4-14-26-32(30,31)23-12-11-21-8-1-2-9-22(21)18-23/h1-2,8-9,11-12,15,17-20,26H,3-7,10,13-14,16H2,(H,28,29).
What are the key properties of 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid?
4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid has a molecular weight of 457.60 g/mol, XLogP of 4.45, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid is sourced from PubChem (CID 19874767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).