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

C26H26N4O5S2 — CID 25038305

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N4O5S2/c1-16(25(31)28-19-8-14-22(15-9-19)37(27,32)33)36-26-29-23(17-4-10-20(34-2)11-5-17)24(30-26)18-6-12-21(35-3)13-7-18/h4-16H,1-3H3,(H,28,31)(H,29,30)(H2,27,32,33)
InChIKeyVINIYTQGDZKNHX-UHFFFAOYSA-N
MW538.65 g/mol
LogP4.53
Rot. Bonds9

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

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25038305) has the molecular formula C26H26N4O5S2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25038305
Molecular FormulaC26H26N4O5S2
Molecular Weight538.65 g/mol
Exact Mass538.13
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H26N4O5S2/c1-16(25(31)28-19-8-14-22(15-9-19)37(27,32)33)36-26-29-23(17-4-10-20(34-2)11-5-17)24(30-26)18-6-12-21(35-3)13-7-18/h4-16H,1-3H3,(H,28,31)(H,29,30)(H2,27,32,33)
InChIKeyVINIYTQGDZKNHX-UHFFFAOYSA-N
XLogP4.53
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
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-sulfamoylphenyl)propanamide
CID 25049653
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23970510
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25036402
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045818
ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate
CID 23886555
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25046340
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23098487
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide
CID 23942554
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2641326
(2S)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 135880626

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 25038305) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is COc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is VINIYTQGDZKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S2/c1-16(25(31)28-19-8-14-22(15-9-19)37(27,32)33)36-26-29-23(17-4-10-20(34-2)11-5-17)24(30-26)18-6-12-21(35-3)13-7-18/h4-16H,1-3H3,(H,28,31)(H,29,30)(H2,27,32,33).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
2-[[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, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25038305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).