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

C16H20N4O3S2 — CID 2366034

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C16H20N4O3S2/c1-12-11-24-16(17-12)18-15(21)13-4-3-5-14(10-13)25(22,23)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyKPGOQIFBKFXEEQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.64
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2366034) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2366034
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1
InChIInChI=1S/C16H20N4O3S2/c1-12-11-24-16(17-12)18-15(21)13-4-3-5-14(10-13)25(22,23)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)
InChIKeyKPGOQIFBKFXEEQ-UHFFFAOYSA-N
XLogP1.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.64
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-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2366034) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KPGOQIFBKFXEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-12-11-24-16(17-12)18-15(21)13-4-3-5-14(10-13)25(22,23)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 380.50 g/mol, XLogP of 1.64, 4 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-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2366034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).