N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide

C24H23N3O3S — CID 18585805

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N3O3S/c1-17-12-14-18(15-13-17)31(29,30)16-6-11-23(28)25-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15H,6,11,16H2,1H3,(H,25,28)(H,26,27)
InChIKeySLMNLXCDPYKNBO-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.73
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 18585805) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID18585805
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H23N3O3S/c1-17-12-14-18(15-13-17)31(29,30)16-6-11-23(28)25-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15H,6,11,16H2,1H3,(H,25,28)(H,26,27)
InChIKeySLMNLXCDPYKNBO-UHFFFAOYSA-N
XLogP4.73
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide (CID 18585805) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is SLMNLXCDPYKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-17-12-14-18(15-13-17)31(29,30)16-6-11-23(28)25-20-8-3-2-7-19(20)24-26-21-9-4-5-10-22(21)27-24/h2-5,7-10,12-15H,6,11,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 433.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 18585805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).