3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

C23H30N6O3S — CID 43041625

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCCn1c(CCC(=O)Nc2ccc(N3CCCC3)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N6O3S/c1-4-29-20-9-8-18(33(31,32)27(2)3)15-19(20)26-22(29)11-12-23(30)25-17-7-10-21(24-16-17)28-13-5-6-14-28/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,30)
InChIKeyOHPLTDICYGNZCL-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.87
Rot. Bonds8

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 43041625) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID43041625
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCCn1c(CCC(=O)Nc2ccc(N3CCCC3)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N6O3S/c1-4-29-20-9-8-18(33(31,32)27(2)3)15-19(20)26-22(29)11-12-23(30)25-17-7-10-21(24-16-17)28-13-5-6-14-28/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,30)
InChIKeyOHPLTDICYGNZCL-UHFFFAOYSA-N
XLogP2.87
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 30279634
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-[4-(cyanomethyl)phenyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 35705492
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 26197597
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(3-nitrophenyl)propanamide
CID 24638603
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 40601283
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 34450108
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 43041625) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is CCn1c(CCC(=O)Nc2ccc(N3CCCC3)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is OHPLTDICYGNZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-4-29-20-9-8-18(33(31,32)27(2)3)15-19(20)26-22(29)11-12-23(30)25-17-7-10-21(24-16-17)28-13-5-6-14-28/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,30).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 470.60 g/mol, XLogP of 2.87, 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-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 43041625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).