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

C21H24N4O3S — CID 16822750

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-20(26)22-16-7-9-17(10-8-16)29(27,28)25-13-11-15(12-14-25)21-23-18-5-3-4-6-19(18)24-21/h3-10,15H,2,11-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOKXIFEFIUBQYLQ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.48
Rot. Bonds5

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

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 16822750) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID16822750
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-2-20(26)22-16-7-9-17(10-8-16)29(27,28)25-13-11-15(12-14-25)21-23-18-5-3-4-6-19(18)24-21/h3-10,15H,2,11-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOKXIFEFIUBQYLQ-UHFFFAOYSA-N
XLogP3.48
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.48
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]propanamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide (CID 16822750) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide is CCC(=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]propanamide?
The InChIKey is OKXIFEFIUBQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-20(26)22-16-7-9-17(10-8-16)29(27,28)25-13-11-15(12-14-25)21-23-18-5-3-4-6-19(18)24-21/h3-10,15H,2,11-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 412.52 g/mol, XLogP of 3.48, 5 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]propanamide is sourced from PubChem (CID 16822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).