3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide

C20H23N3O4S2 — CID 69440081

IUPAC3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
SMILESCOc1ccc(-c2nc(SCCCS(N)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-26-16-8-4-14(5-9-16)18-19(15-6-10-17(27-2)11-7-15)23-20(22-18)28-12-3-13-29(21,24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyWAWVCQDQODZAMI-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.53
Rot. Bonds9

About 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide (PubChem CID 69440081) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
PubChem CID69440081
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
SMILESCOc1ccc(-c2nc(SCCCS(N)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O4S2/c1-26-16-8-4-14(5-9-16)18-19(15-6-10-17(27-2)11-7-15)23-20(22-18)28-12-3-13-29(21,24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyWAWVCQDQODZAMI-UHFFFAOYSA-N
XLogP3.53
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propylsulfonyl]pyrimidine
CID 23175652
1-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]naphthalene-2-sulfonamide
CID 69444385
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 2718104
5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-3-phenylpentanamide
CID 69444235
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-methylbenzamide
CID 3273706
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
N-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-4-butylbenzamide
CID 42725781
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pyridine
CID 12832390
1-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4559601

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide?
The IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide (CID 69440081) is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide.
What is the SMILES notation for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide?
The canonical SMILES for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide is COc1ccc(-c2nc(SCCCS(N)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide?
The InChIKey is WAWVCQDQODZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-26-16-8-4-14(5-9-16)18-19(15-6-10-17(27-2)11-7-15)23-20(22-18)28-12-3-13-29(21,24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide?
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide has a molecular weight of 433.56 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide is sourced from PubChem (CID 69440081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).