2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate

C14H20N4O4S — CID 12837964

IUPAC2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate
SMILESCC(C)COC(=O)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1
InChIInChI=1S/C14H20N4O4S/c1-9(2)8-22-13(19)10-5-6-11-12(7-10)18(14(15)16-11)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H2,15,16)
InChIKeyTWNKTTLXPJXTDX-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.09
Rot. Bonds5

About 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate

2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate (PubChem CID 12837964) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate
PubChem CID12837964
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate
SMILESCC(C)COC(=O)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1
InChIInChI=1S/C14H20N4O4S/c1-9(2)8-22-13(19)10-5-6-11-12(7-10)18(14(15)16-11)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H2,15,16)
InChIKeyTWNKTTLXPJXTDX-UHFFFAOYSA-N
XLogP1.09
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate
CID 12837966
tert-butyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate
CID 21440112
2-amino-6-(hydrazinecarbonyl)-N,N-dimethylbenzimidazole-1-sulfonamide
CID 12919381
[[[2-amino-3-(dimethylsulfamoyl)benzimidazol-5-yl]-phenylmethylidene]amino] acetate
CID 54537340
2-methylpropyl 3-amino-4-(dimethylamino)benzoate
CID 61310435
ethyl 2-amino-1-propan-2-ylsulfonylbenzimidazole-5-carboxylate
CID 12837956
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
CID 10522586
2-methylpropyl 3-aminobenzoate
CID 15914844
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
ethyl 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enoate
CID 54413341
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(3-fluorophenyl)methanone
CID 515243
2-methylpropyl 4-aminobenzoate
CID 23616374

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate (CID 12837964) is 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate is CC(C)COC(=O)c1ccc2nc(N)n(S(=O)(=O)N(C)C)c2c1.
What is the InChIKey of 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate?
The InChIKey is TWNKTTLXPJXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-9(2)8-22-13(19)10-5-6-11-12(7-10)18(14(15)16-11)23(20,21)17(3)4/h5-7,9H,8H2,1-4H3,(H2,15,16).
What are the key properties of 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate?
2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-3-(dimethylsulfamoyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 12837964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).