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

C20H22N4O3S — CID 645663

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(25)21-16-6-8-17(9-7-16)28(26,27)24-12-10-15(11-13-24)20-22-18-4-2-3-5-19(18)23-20/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyXALFJWCXGFURDK-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.09
Rot. Bonds4

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

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 645663) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID645663
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(25)21-16-6-8-17(9-7-16)28(26,27)24-12-10-15(11-13-24)20-22-18-4-2-3-5-19(18)23-20/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyXALFJWCXGFURDK-UHFFFAOYSA-N
XLogP3.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.09
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]acetamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 645663) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=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]acetamide?
The InChIKey is XALFJWCXGFURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14(25)21-16-6-8-17(9-7-16)28(26,27)24-12-10-15(11-13-24)20-22-18-4-2-3-5-19(18)23-20/h2-9,15H,10-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 3.09, 4 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]acetamide is sourced from PubChem (CID 645663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).