N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

C17H18N4O3S — CID 78799758

IUPACN-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O3S/c1-18-25(23,24)13-9-6-12(7-10-13)8-11-16(22)21-17-19-14-4-2-3-5-15(14)20-17/h2-7,9-10,18H,8,11H2,1H3,(H2,19,20,21,22)
InChIKeyHHDCLNLHFBYQGI-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.04
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide

N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 78799758) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID78799758
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H18N4O3S/c1-18-25(23,24)13-9-6-12(7-10-13)8-11-16(22)21-17-19-14-4-2-3-5-15(14)20-17/h2-7,9-10,18H,8,11H2,1H3,(H2,19,20,21,22)
InChIKeyHHDCLNLHFBYQGI-UHFFFAOYSA-N
XLogP2.04
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18116434
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24539552
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 78799758) is N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is HHDCLNLHFBYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-18-25(23,24)13-9-6-12(7-10-13)8-11-16(22)21-17-19-14-4-2-3-5-15(14)20-17/h2-7,9-10,18H,8,11H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 78799758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).