3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

C24H27FN6O3S — CID 112805797

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C24H27FN6O3S/c1-5-30-21-11-10-19(35(33,34)29(3)4)15-20(21)26-22(30)12-13-24(32)27-23-14-16(2)28-31(23)18-8-6-17(25)7-9-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,27,32)
InChIKeySUMDXDRSQMPVPO-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.51
Rot. Bonds8

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 112805797) has the molecular formula C24H27FN6O3S and a molecular weight of 498.58 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID112805797
Molecular FormulaC24H27FN6O3S
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C24H27FN6O3S/c1-5-30-21-11-10-19(35(33,34)29(3)4)15-20(21)26-22(30)12-13-24(32)27-23-14-16(2)28-31(23)18-8-6-17(25)7-9-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,27,32)
InChIKeySUMDXDRSQMPVPO-UHFFFAOYSA-N
XLogP3.51
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (CID 112805797) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is CCn1c(CCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is SUMDXDRSQMPVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3S/c1-5-30-21-11-10-19(35(33,34)29(3)4)15-20(21)26-22(30)12-13-24(32)27-23-14-16(2)28-31(23)18-8-6-17(25)7-9-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,27,32).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 498.58 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 112805797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).