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

C22H19N3O3S — CID 7150618

IUPAC3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19N3O3S/c26-21(14-15-29(27,28)16-8-2-1-3-9-16)23-18-11-5-4-10-17(18)22-24-19-12-6-7-13-20(19)25-22/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyIURQSPMKKWCECK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.03
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide (PubChem CID 7150618) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
PubChem CID7150618
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H19N3O3S/c26-21(14-15-29(27,28)16-8-2-1-3-9-16)23-18-11-5-4-10-17(18)22-24-19-12-6-7-13-20(19)25-22/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyIURQSPMKKWCECK-UHFFFAOYSA-N
XLogP4.03
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
CID 18585805
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
CID 78843524
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586254
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 134030127
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 78804367
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 94717593
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 134044563

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide (CID 7150618) is 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide?
The InChIKey is IURQSPMKKWCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-21(14-15-29(27,28)16-8-2-1-3-9-16)23-18-11-5-4-10-17(18)22-24-19-12-6-7-13-20(19)25-22/h1-13H,14-15H2,(H,23,26)(H,24,25).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide has a molecular weight of 405.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 7150618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).