N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

C17H22N4O3S2 — CID 574577

IUPACN-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O3S2/c1-13(22)18-15-3-5-17(6-4-15)26(23,24)21-9-7-20(8-10-21)11-16-12-25-14(2)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyQGXGCUSAXZWBPY-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.92
Rot. Bonds5

About N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 574577) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID574577
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O3S2/c1-13(22)18-15-3-5-17(6-4-15)26(23,24)21-9-7-20(8-10-21)11-16-12-25-14(2)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeyQGXGCUSAXZWBPY-UHFFFAOYSA-N
XLogP1.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 574577) is N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is QGXGCUSAXZWBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-13(22)18-15-3-5-17(6-4-15)26(23,24)21-9-7-20(8-10-21)11-16-12-25-14(2)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 574577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).