3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide

C24H31N5O4S — CID 26144970

IUPAC3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C24H31N5O4S/c1-4-33-22-8-6-19(7-9-22)17-27-21-14-20(15-23(16-21)34(31,32)28(2)3)24(30)26-10-5-12-29-13-11-25-18-29/h6-9,11,13-16,18,27H,4-5,10,12,17H2,1-3H3,(H,26,30)
InChIKeyUHJLDVFRBXRBPE-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.96
Rot. Bonds12

About 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide

3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 26144970) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID26144970
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC Name3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C24H31N5O4S/c1-4-33-22-8-6-19(7-9-22)17-27-21-14-20(15-23(16-21)34(31,32)28(2)3)24(30)26-10-5-12-29-13-11-25-18-29/h6-9,11,13-16,18,27H,4-5,10,12,17H2,1-3H3,(H,26,30)
InChIKeyUHJLDVFRBXRBPE-UHFFFAOYSA-N
XLogP2.96
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26143583
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 91950519
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-[2-(methylamino)ethyl]benzamide
CID 145495218

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide (CID 26144970) is 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is UHJLDVFRBXRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-4-33-22-8-6-19(7-9-22)17-27-21-14-20(15-23(16-21)34(31,32)28(2)3)24(30)26-10-5-12-29-13-11-25-18-29/h6-9,11,13-16,18,27H,4-5,10,12,17H2,1-3H3,(H,26,30).
What are the key properties of 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 485.61 g/mol, XLogP of 2.96, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 26144970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).