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

C30H35N3O3S — CID 24825349

IUPACN-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(C)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O3S/c1-4-5-6-7-23-10-18-27(19-11-23)37(34,35)31-21-20-28-29(24-14-16-26(36-3)17-15-24)33-30(32-28)25-12-8-22(2)9-13-25/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
InChIKeyKWQSKDZDXFMDEX-UHFFFAOYSA-N
MW517.70 g/mol
LogP6.31
Rot. Bonds12

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

N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825349) has the molecular formula C30H35N3O3S and a molecular weight of 517.70 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825349
Molecular FormulaC30H35N3O3S
Molecular Weight517.70 g/mol
Exact Mass517.24
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(C)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O3S/c1-4-5-6-7-23-10-18-27(19-11-23)37(34,35)31-21-20-28-29(24-14-16-26(36-3)17-15-24)33-30(32-28)25-12-8-22(2)9-13-25/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
InChIKeyKWQSKDZDXFMDEX-UHFFFAOYSA-N
XLogP6.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 56.31
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-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825349) is N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(C)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is KWQSKDZDXFMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3S/c1-4-5-6-7-23-10-18-27(19-11-23)37(34,35)31-21-20-28-29(24-14-16-26(36-3)17-15-24)33-30(32-28)25-12-8-22(2)9-13-25/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 517.70 g/mol, XLogP of 6.31, 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-(4-methylphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).