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

C27H30N4O3S — CID 4820473

IUPACN-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C27H30N4O3S/c1-4-31-25-15-14-22(35(33,34)30(2)3)19-24(25)28-26(31)16-17-27(32)29-23-13-9-8-12-21(23)18-20-10-6-5-7-11-20/h5-15,19H,4,16-18H2,1-3H3,(H,29,32)
InChIKeyLBNRXVBZURTSIN-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.47
Rot. Bonds9

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

N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 4820473) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID4820473
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C27H30N4O3S/c1-4-31-25-15-14-22(35(33,34)30(2)3)19-24(25)28-26(31)16-17-27(32)29-23-13-9-8-12-21(23)18-20-10-6-5-7-11-20/h5-15,19H,4,16-18H2,1-3H3,(H,29,32)
InChIKeyLBNRXVBZURTSIN-UHFFFAOYSA-N
XLogP4.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 43034386
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 30279634
N-benzhydryl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4876131
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
N-benzyl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-phenylpropanamide
CID 29358517
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
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 2-benzylbenzoate
CID 16560205

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 4820473) is N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCn1c(CCC(=O)Nc2ccccc2Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is LBNRXVBZURTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-4-31-25-15-14-22(35(33,34)30(2)3)19-24(25)28-26(31)16-17-27(32)29-23-13-9-8-12-21(23)18-20-10-6-5-7-11-20/h5-15,19H,4,16-18H2,1-3H3,(H,29,32).
What are the key properties of N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 490.63 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 4820473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).