N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide

C13H18N4O3S — CID 141078201

IUPACN-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(S(=O)(=O)NCC(C)C)cc2[nH]1
InChIInChI=1S/C13H18N4O3S/c1-8(2)7-14-21(19,20)10-4-5-11-12(6-10)17-13(16-11)15-9(3)18/h4-6,8,14H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWMDDUOQLOMBSAU-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.46
Rot. Bonds5

About N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide

N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide (PubChem CID 141078201) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
PubChem CID141078201
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(S(=O)(=O)NCC(C)C)cc2[nH]1
InChIInChI=1S/C13H18N4O3S/c1-8(2)7-14-21(19,20)10-4-5-11-12(6-10)17-13(16-11)15-9(3)18/h4-6,8,14H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWMDDUOQLOMBSAU-UHFFFAOYSA-N
XLogP1.46
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide (CID 141078201) is N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(S(=O)(=O)NCC(C)C)cc2[nH]1.
What is the InChIKey of N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide?
The InChIKey is WMDDUOQLOMBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8(2)7-14-21(19,20)10-4-5-11-12(6-10)17-13(16-11)15-9(3)18/h4-6,8,14H,7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide?
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 141078201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).