2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide

C19H31N5O4S — CID 55445603

IUPAC2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCCn1c(CN(C)CC(=O)NCCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H31N5O4S/c1-6-24-17-9-8-15(29(26,27)22(2)3)12-16(17)21-18(24)13-23(4)14-19(25)20-10-7-11-28-5/h8-9,12H,6-7,10-11,13-14H2,1-5H3,(H,20,25)
InChIKeyBRTNAIOMZWMBLR-UHFFFAOYSA-N
MW425.56 g/mol
LogP0.89
Rot. Bonds11

About 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide

2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 55445603) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID55445603
Molecular FormulaC19H31N5O4S
Molecular Weight425.56 g/mol
Exact Mass425.21
IUPAC Name2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCCn1c(CN(C)CC(=O)NCCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C19H31N5O4S/c1-6-24-17-9-8-15(29(26,27)22(2)3)12-16(17)21-18(24)13-23(4)14-19(25)20-10-7-11-28-5/h8-9,12H,6-7,10-11,13-14H2,1-5H3,(H,20,25)
InChIKeyBRTNAIOMZWMBLR-UHFFFAOYSA-N
XLogP0.89
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 55454793
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 25330921
N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330307
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 27883780
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 46797564
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl 4-methylsulfonylbenzoate
CID 30000662

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide (CID 55445603) is 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide is CCn1c(CN(C)CC(=O)NCCCOC)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is BRTNAIOMZWMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4S/c1-6-24-17-9-8-15(29(26,27)22(2)3)12-16(17)21-18(24)13-23(4)14-19(25)20-10-7-11-28-5/h8-9,12H,6-7,10-11,13-14H2,1-5H3,(H,20,25).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 425.56 g/mol, XLogP of 0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55445603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).