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

C20H24N4O3S — CID 27649678

IUPACN-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-12-9-15(10-13-16)11-14-19(25)23-20-21-17-7-5-6-8-18(17)22-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H2,21,22,23,25)
InChIKeyJYHSSVAPMFORMJ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.16
Rot. Bonds8

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

N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 27649678) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID27649678
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-12-9-15(10-13-16)11-14-19(25)23-20-21-17-7-5-6-8-18(17)22-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H2,21,22,23,25)
InChIKeyJYHSSVAPMFORMJ-UHFFFAOYSA-N
XLogP3.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 78799758
3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
CID 55436052
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26017530
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 27649678) is N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is JYHSSVAPMFORMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-12-9-15(10-13-16)11-14-19(25)23-20-21-17-7-5-6-8-18(17)22-20/h5-10,12-13H,3-4,11,14H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 400.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27649678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).