N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C20H21FN4O3S — CID 656283

IUPACN-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-14(26)23-16-3-5-18(6-4-16)29(27,28)24-10-8-17(9-11-24)25-13-22-19-12-15(21)2-7-20(19)25/h2-7,12-13,17H,8-11H2,1H3,(H,23,26)
InChIKeyLUQOFXNIKAEUIY-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.16
Rot. Bonds4

About N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 656283) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID656283
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C20H21FN4O3S/c1-14(26)23-16-3-5-18(6-4-16)29(27,28)24-10-8-17(9-11-24)25-13-22-19-12-15(21)2-7-20(19)25/h2-7,12-13,17H,8-11H2,1H3,(H,23,26)
InChIKeyLUQOFXNIKAEUIY-UHFFFAOYSA-N
XLogP3.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 656283) is N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LUQOFXNIKAEUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-14(26)23-16-3-5-18(6-4-16)29(27,28)24-10-8-17(9-11-24)25-13-22-19-12-15(21)2-7-20(19)25/h2-7,12-13,17H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 656283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).