N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide

C22H26N4O3S — CID 16830041

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-5-21(27)23-17-8-10-18(11-9-17)30(28,29)26-14-12-16(13-15-26)22-24-19-6-3-4-7-20(19)25-22/h3-4,6-11,16H,2,5,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyJRZYCIBKPSYREO-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide (PubChem CID 16830041) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide
PubChem CID16830041
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-2-5-21(27)23-17-8-10-18(11-9-17)30(28,29)26-14-12-16(13-15-26)22-24-19-6-3-4-7-20(19)25-22/h3-4,6-11,16H,2,5,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyJRZYCIBKPSYREO-UHFFFAOYSA-N
XLogP3.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide (CID 16830041) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide?
The InChIKey is JRZYCIBKPSYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-2-5-21(27)23-17-8-10-18(11-9-17)30(28,29)26-14-12-16(13-15-26)22-24-19-6-3-4-7-20(19)25-22/h3-4,6-11,16H,2,5,12-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide has a molecular weight of 426.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]butanamide is sourced from PubChem (CID 16830041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).