4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide

C21H34N6O3S — CID 20955781

IUPAC4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1
InChIInChI=1S/C21H34N6O3S/c1-5-10-22-21(28)26-13-11-25(12-14-26)16-20-23-18-15-17(8-9-19(18)24(20)4)31(29,30)27(6-2)7-3/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,22,28)
InChIKeyOSXMRCQIOKURKA-UHFFFAOYSA-N
MW450.61 g/mol
LogP1.84
Rot. Bonds8

About 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide

4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 20955781) has the molecular formula C21H34N6O3S and a molecular weight of 450.61 g/mol. Its IUPAC name is 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide
PubChem CID20955781
Molecular FormulaC21H34N6O3S
Molecular Weight450.61 g/mol
Exact Mass450.24
IUPAC Name4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1
InChIInChI=1S/C21H34N6O3S/c1-5-10-22-21(28)26-13-11-25(12-14-26)16-20-23-18-15-17(8-9-19(18)24(20)4)31(29,30)27(6-2)7-3/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,22,28)
InChIKeyOSXMRCQIOKURKA-UHFFFAOYSA-N
XLogP1.84
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 34368790
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3-indol-1-ylpropyl)propanamide
CID 55369870
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 20955787
2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
ethyl 4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 24761617
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 4964891

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide (CID 20955781) is 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)CC1.
What is the InChIKey of 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is OSXMRCQIOKURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O3S/c1-5-10-22-21(28)26-13-11-25(12-14-26)16-20-23-18-15-17(8-9-19(18)24(20)4)31(29,30)27(6-2)7-3/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,22,28).
What are the key properties of 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide?
4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 20955781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).