N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide

C28H33N3O3S2 — CID 24825362

IUPACN-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33N3O3S2/c1-3-4-5-8-21-11-17-24(18-12-21)36(32,33)29-19-6-9-25-27(22-13-15-23(34-2)16-14-22)31-28(30-25)26-10-7-20-35-26/h7,10-18,20,29H,3-6,8-9,19H2,1-2H3,(H,30,31)
InChIKeyHLVHZCHBQXLZGI-UHFFFAOYSA-N
MW523.72 g/mol
LogP6.46
Rot. Bonds13

About N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide

N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide (PubChem CID 24825362) has the molecular formula C28H33N3O3S2 and a molecular weight of 523.72 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
PubChem CID24825362
Molecular FormulaC28H33N3O3S2
Molecular Weight523.72 g/mol
Exact Mass523.20
IUPAC NameN-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33N3O3S2/c1-3-4-5-8-21-11-17-24(18-12-21)36(32,33)29-19-6-9-25-27(22-13-15-23(34-2)16-14-22)31-28(30-25)26-10-7-20-35-26/h7,10-18,20,29H,3-6,8-9,19H2,1-2H3,(H,30,31)
InChIKeyHLVHZCHBQXLZGI-UHFFFAOYSA-N
XLogP6.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide (CID 24825362) is N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCCc2[nH]c(-c3cccs3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
The InChIKey is HLVHZCHBQXLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S2/c1-3-4-5-8-21-11-17-24(18-12-21)36(32,33)29-19-6-9-25-27(22-13-15-23(34-2)16-14-22)31-28(30-25)26-10-7-20-35-26/h7,10-18,20,29H,3-6,8-9,19H2,1-2H3,(H,30,31).
What are the key properties of N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide?
N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide has a molecular weight of 523.72 g/mol, XLogP of 6.46, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]propyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).