N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C21H24N4O3S — CID 647092

IUPACN-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-3-8-19-20(13-14)24-21(23-19)16-9-11-25(12-10-16)29(27,28)18-6-4-17(5-7-18)22-15(2)26/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLFPSPAQRHDXBAS-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.40
Rot. Bonds4

About N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 647092) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID647092
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3S/c1-14-3-8-19-20(13-14)24-21(23-19)16-9-11-25(12-10-16)29(27,28)18-6-4-17(5-7-18)22-15(2)26/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLFPSPAQRHDXBAS-UHFFFAOYSA-N
XLogP3.40
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 647092) is N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1.
What is the InChIKey of N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LFPSPAQRHDXBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-3-8-19-20(13-14)24-21(23-19)16-9-11-25(12-10-16)29(27,28)18-6-4-17(5-7-18)22-15(2)26/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 647092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).