N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

C26H33N3O3S — CID 24825354

IUPACN-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C3CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-4-5-6-19-7-15-23(16-8-19)33(30,31)27-18-17-24-25(29-26(28-24)21-9-10-21)20-11-13-22(32-2)14-12-20/h7-8,11-16,21,27H,3-6,9-10,17-18H2,1-2H3,(H,28,29)
InChIKeySXISIULWCHSXDG-UHFFFAOYSA-N
MW467.64 g/mol
LogP5.22
Rot. Bonds12

About N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825354) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825354
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C3CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H33N3O3S/c1-3-4-5-6-19-7-15-23(16-8-19)33(30,31)27-18-17-24-25(29-26(28-24)21-9-10-21)20-11-13-22(32-2)14-12-20/h7-8,11-16,21,27H,3-6,9-10,17-18H2,1-2H3,(H,28,29)
InChIKeySXISIULWCHSXDG-UHFFFAOYSA-N
XLogP5.22
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825354) is N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C3CC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is SXISIULWCHSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-3-4-5-6-19-7-15-23(16-8-19)33(30,31)27-18-17-24-25(29-26(28-24)21-9-10-21)20-11-13-22(32-2)14-12-20/h7-8,11-16,21,27H,3-6,9-10,17-18H2,1-2H3,(H,28,29).
What are the key properties of N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 467.64 g/mol, XLogP of 5.22, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyclopropyl-4-(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).