N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

C22H24N4O3S — CID 20936533

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCCc3nc4ccccc4[nH]3)c2)on1
InChIInChI=1S/C22H24N4O3S/c1-14(2)17-9-8-16(20-12-15(3)26-29-20)13-21(17)30(27,28)23-11-10-22-24-18-6-4-5-7-19(18)25-22/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25)
InChIKeyLGGUJVWMDQAMPS-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 20936533) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID20936533
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCCc3nc4ccccc4[nH]3)c2)on1
InChIInChI=1S/C22H24N4O3S/c1-14(2)17-9-8-16(20-12-15(3)26-29-20)13-21(17)30(27,28)23-11-10-22-24-18-6-4-5-7-19(18)25-22/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25)
InChIKeyLGGUJVWMDQAMPS-UHFFFAOYSA-N
XLogP4.17
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid
CID 25351513
N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693515
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide (CID 20936533) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCCc3nc4ccccc4[nH]3)c2)on1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is LGGUJVWMDQAMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14(2)17-9-8-16(20-12-15(3)26-29-20)13-21(17)30(27,28)23-11-10-22-24-18-6-4-5-7-19(18)25-22/h4-9,12-14,23H,10-11H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).