N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C24H23N3O3S — CID 67165005

IUPACN-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(C=Cc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(2,28)29/h4-16,27H,3H2,1-2H3,(H,25,26)
InChIKeyDZHDMYLIEUOKKW-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.17
Rot. Bonds7

About N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 67165005) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID67165005
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCCOc1ccc(C=Cc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1
InChIInChI=1S/C24H23N3O3S/c1-3-30-19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(2,28)29/h4-16,27H,3H2,1-2H3,(H,25,26)
InChIKeyDZHDMYLIEUOKKW-UHFFFAOYSA-N
XLogP5.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 67165005) is N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CCOc1ccc(C=Cc2nc3ccc(-c4ccccc4NS(C)(=O)=O)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is DZHDMYLIEUOKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-30-19-12-8-17(9-13-19)10-15-24-25-22-14-11-18(16-23(22)26-24)20-6-4-5-7-21(20)27-31(2,28)29/h4-16,27H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 67165005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).