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

C29H33N3O3S — CID 24825343

IUPACN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H33N3O3S/c1-3-4-6-9-22-12-18-26(19-13-22)36(33,34)30-21-20-27-28(23-14-16-25(35-2)17-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
InChIKeyDTISQXWPPLXDQJ-UHFFFAOYSA-N
MW503.67 g/mol
LogP6.01
Rot. Bonds12

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

N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825343) has the molecular formula C29H33N3O3S and a molecular weight of 503.67 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825343
Molecular FormulaC29H33N3O3S
Molecular Weight503.67 g/mol
Exact Mass503.22
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H33N3O3S/c1-3-4-6-9-22-12-18-26(19-13-22)36(33,34)30-21-20-27-28(23-14-16-25(35-2)17-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
InChIKeyDTISQXWPPLXDQJ-UHFFFAOYSA-N
XLogP6.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 56.01
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-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825343) is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is DTISQXWPPLXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3S/c1-3-4-6-9-22-12-18-26(19-13-22)36(33,34)30-21-20-27-28(23-14-16-25(35-2)17-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 503.67 g/mol, XLogP of 6.01, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).