3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C21H22N4O3S2 — CID 2390608

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)CC1
InChIInChI=1S/C21H22N4O3S2/c1-24-10-12-25(13-11-24)30(27,28)18-9-5-8-17(14-18)20(26)23-21-22-19(15-29-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,23,26)
InChIKeyBEEMRKUWENENAP-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2390608) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID2390608
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)CC1
InChIInChI=1S/C21H22N4O3S2/c1-24-10-12-25(13-11-24)30(27,28)18-9-5-8-17(14-18)20(26)23-21-22-19(15-29-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,23,26)
InChIKeyBEEMRKUWENENAP-UHFFFAOYSA-N
XLogP3.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 2390608) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BEEMRKUWENENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-24-10-12-25(13-11-24)30(27,28)18-9-5-8-17(14-18)20(26)23-21-22-19(15-29-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,23,26).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 442.57 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2390608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).