3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C17H21N5O4S2 — CID 2475478

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)s1
InChIInChI=1S/C17H21N5O4S2/c1-3-15-19-20-17(27-15)18-16(24)13-5-4-6-14(11-13)28(25,26)22-9-7-21(8-10-22)12(2)23/h4-6,11H,3,7-10H2,1-2H3,(H,18,20,24)
InChIKeyJPIVWSNWYXXWGE-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.21
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2475478) has the molecular formula C17H21N5O4S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2475478
Molecular FormulaC17H21N5O4S2
Molecular Weight423.52 g/mol
Exact Mass423.10
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)s1
InChIInChI=1S/C17H21N5O4S2/c1-3-15-19-20-17(27-15)18-16(24)13-5-4-6-14(11-13)28(25,26)22-9-7-21(8-10-22)12(2)23/h4-6,11H,3,7-10H2,1-2H3,(H,18,20,24)
InChIKeyJPIVWSNWYXXWGE-UHFFFAOYSA-N
XLogP1.21
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2475478) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)s1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JPIVWSNWYXXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S2/c1-3-15-19-20-17(27-15)18-16(24)13-5-4-6-14(11-13)28(25,26)22-9-7-21(8-10-22)12(2)23/h4-6,11H,3,7-10H2,1-2H3,(H,18,20,24).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2475478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).