4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C26H28N4O4S — CID 55394943

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCn3c(C)nc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N4O4S/c1-3-34-22-13-11-21(12-14-22)29-35(32,33)23-15-9-20(10-16-23)26(31)27-17-6-18-30-19(2)28-24-7-4-5-8-25(24)30/h4-5,7-16,29H,3,6,17-18H2,1-2H3,(H,27,31)
InChIKeyOACCXZXOINNARR-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.36
Rot. Bonds10

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 55394943) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID55394943
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCn3c(C)nc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N4O4S/c1-3-34-22-13-11-21(12-14-22)29-35(32,33)23-15-9-20(10-16-23)26(31)27-17-6-18-30-19(2)28-24-7-4-5-8-25(24)30/h4-5,7-16,29H,3,6,17-18H2,1-2H3,(H,27,31)
InChIKeyOACCXZXOINNARR-UHFFFAOYSA-N
XLogP4.36
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.36
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

4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N-[3-(2-methylbenzimidazol-1-yl)propyl]-4-(2-methylpropanoylamino)benzamide
CID 55628913
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 55394943) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCn3c(C)nc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is OACCXZXOINNARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-3-34-22-13-11-21(12-14-22)29-35(32,33)23-15-9-20(10-16-23)26(31)27-17-6-18-30-19(2)28-24-7-4-5-8-25(24)30/h4-5,7-16,29H,3,6,17-18H2,1-2H3,(H,27,31).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 492.60 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 55394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).