3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

C26H26N4O5S2 — CID 25049653

IUPAC3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N4O5S2/c1-34-20-9-3-17(4-10-20)24-25(18-5-11-21(35-2)12-6-18)30-26(29-24)36-16-15-23(31)28-19-7-13-22(14-8-19)37(27,32)33/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,30)(H2,27,32,33)
InChIKeyNFAHSNXBYZKHSD-UHFFFAOYSA-N
MW538.65 g/mol
LogP4.53
Rot. Bonds10

About 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25049653) has the molecular formula C26H26N4O5S2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25049653
Molecular FormulaC26H26N4O5S2
Molecular Weight538.65 g/mol
Exact Mass538.13
IUPAC Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N4O5S2/c1-34-20-9-3-17(4-10-20)24-25(18-5-11-21(35-2)12-6-18)30-26(29-24)36-16-15-23(31)28-19-7-13-22(14-8-19)37(27,32)33/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,30)(H2,27,32,33)
InChIKeyNFAHSNXBYZKHSD-UHFFFAOYSA-N
XLogP4.53
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25038153
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
4-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804200
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25038305
3-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804202
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23973205
N-[4-(acetylsulfamoyl)phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25042312
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
CID 23861371
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23775094

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 25049653) is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is COc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is NFAHSNXBYZKHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S2/c1-34-20-9-3-17(4-10-20)24-25(18-5-11-21(35-2)12-6-18)30-26(29-24)36-16-15-23(31)28-19-7-13-22(14-8-19)37(27,32)33/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,30)(H2,27,32,33).
What are the key properties of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 538.65 g/mol, XLogP of 4.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25049653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).