3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide

C25H33N5O3S — CID 30279634

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
SMILESCCn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C25H33N5O3S/c1-4-30-23-13-12-19(34(32,33)28(2)3)18-21(23)26-24(30)14-15-25(31)27-20-10-6-7-11-22(20)29-16-8-5-9-17-29/h6-7,10-13,18H,4-5,8-9,14-17H2,1-3H3,(H,27,31)
InChIKeyIBNUMNSZDBZDPY-UHFFFAOYSA-N
MW483.64 g/mol
LogP3.87
Rot. Bonds8

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide (PubChem CID 30279634) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
PubChem CID30279634
Molecular FormulaC25H33N5O3S
Molecular Weight483.64 g/mol
Exact Mass483.23
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
SMILESCCn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C25H33N5O3S/c1-4-30-23-13-12-19(34(32,33)28(2)3)18-21(23)26-24(30)14-15-25(31)27-20-10-6-7-11-22(20)29-16-8-5-9-17-29/h6-7,10-13,18H,4-5,8-9,14-17H2,1-3H3,(H,27,31)
InChIKeyIBNUMNSZDBZDPY-UHFFFAOYSA-N
XLogP3.87
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041625
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 43034386
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 30235638
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 34450108

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide (CID 30279634) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide is CCn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide?
The InChIKey is IBNUMNSZDBZDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-4-30-23-13-12-19(34(32,33)28(2)3)18-21(23)26-24(30)14-15-25(31)27-20-10-6-7-11-22(20)29-16-8-5-9-17-29/h6-7,10-13,18H,4-5,8-9,14-17H2,1-3H3,(H,27,31).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide has a molecular weight of 483.64 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 30279634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).