(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

C28H22N4O3S — CID 155125753

IUPAC(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C28H22N4O3S/c33-27(29-24-14-5-4-13-23(24)28-30-25-15-6-7-16-26(25)31-28)18-17-20-9-8-12-22(19-20)36(34,35)32-21-10-2-1-3-11-21/h1-19,32H,(H,29,33)(H,30,31)/b18-17+
InChIKeyYUDSAASYHRJIBJ-ISLYRVAYSA-N
MW494.58 g/mol
LogP5.68
Rot. Bonds7

About (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 155125753) has the molecular formula C28H22N4O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
PubChem CID155125753
Molecular FormulaC28H22N4O3S
Molecular Weight494.58 g/mol
Exact Mass494.14
IUPAC Name(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C28H22N4O3S/c33-27(29-24-14-5-4-13-23(24)28-30-25-15-6-7-16-26(25)31-28)18-17-20-9-8-12-22(19-20)36(34,35)32-21-10-2-1-3-11-21/h1-19,32H,(H,29,33)(H,30,31)/b18-17+
InChIKeyYUDSAASYHRJIBJ-ISLYRVAYSA-N
XLogP5.68
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-[(3-methylphenyl)sulfonylmethyl]phenyl]prop-2-enamide
CID 158020674
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 6012174
4-[(E)-3-[2-(1H-benzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002526
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 134059388
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 59191080
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
CID 7150618
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]benzamide
CID 123993653
(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55555607

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (CID 155125753) is (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is YUDSAASYHRJIBJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H22N4O3S/c33-27(29-24-14-5-4-13-23(24)28-30-25-15-6-7-16-26(25)31-28)18-17-20-9-8-12-22(19-20)36(34,35)32-21-10-2-1-3-11-21/h1-19,32H,(H,29,33)(H,30,31)/b18-17+.
What are the key properties of (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 494.58 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 155125753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).