3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide

C20H21N5O4S — CID 2116482

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C20H21N5O4S/c1-14(26)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(13-16)19(27)23-20-21-17-7-2-3-8-18(17)22-20/h2-8,13H,9-12H2,1H3,(H2,21,22,23,27)
InChIKeyLASJEFQNBBFWDM-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.67
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide (PubChem CID 2116482) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide
PubChem CID2116482
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C20H21N5O4S/c1-14(26)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(13-16)19(27)23-20-21-17-7-2-3-8-18(17)22-20/h2-8,13H,9-12H2,1H3,(H2,21,22,23,27)
InChIKeyLASJEFQNBBFWDM-UHFFFAOYSA-N
XLogP1.67
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide (CID 2116482) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide?
The InChIKey is LASJEFQNBBFWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-14(26)24-9-11-25(12-10-24)30(28,29)16-6-4-5-15(13-16)19(27)23-20-21-17-7-2-3-8-18(17)22-20/h2-8,13H,9-12H2,1H3,(H2,21,22,23,27).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 2116482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).