3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C25H33N5O4S — CID 4964891

IUPAC3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2C
InChIInChI=1S/C25H33N5O4S/c1-4-30(5-2)35(32,33)21-10-11-23-22(18-21)27-24(28(23)3)12-13-25(31)26-19-6-8-20(9-7-19)29-14-16-34-17-15-29/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,31)
InChIKeySUQZMMZMVMLZPJ-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.01
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 4964891) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID4964891
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2C
InChIInChI=1S/C25H33N5O4S/c1-4-30(5-2)35(32,33)21-10-11-23-22(18-21)27-24(28(23)3)12-13-25(31)26-19-6-8-20(9-7-19)29-14-16-34-17-15-29/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,31)
InChIKeySUQZMMZMVMLZPJ-UHFFFAOYSA-N
XLogP3.01
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
N-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 4816221
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-methylphenyl)propanamide
CID 24580395
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
CID 35325270
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 4964891) is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2C.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is SUQZMMZMVMLZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-4-30(5-2)35(32,33)21-10-11-23-22(18-21)27-24(28(23)3)12-13-25(31)26-19-6-8-20(9-7-19)29-14-16-34-17-15-29/h6-11,18H,4-5,12-17H2,1-3H3,(H,26,31).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 499.64 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 4964891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).