N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C16H20N4O4S2 — CID 42560681

IUPACN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C16H20N4O4S2/c1-12(21)18-16-17-11-15(25-16)26(22,23)20-9-7-19(8-10-20)13-3-5-14(24-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeySBFLGTWEYXMMKO-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.62
Rot. Bonds5

About N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 42560681) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID42560681
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC NameN-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C16H20N4O4S2/c1-12(21)18-16-17-11-15(25-16)26(22,23)20-9-7-19(8-10-20)13-3-5-14(24-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeySBFLGTWEYXMMKO-UHFFFAOYSA-N
XLogP1.62
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 154581936
N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122339410
N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122347042
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
CID 100710035
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-morpholin-4-ylmethanone
CID 50777841
1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958623
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 42560681) is N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is COc1ccc(N2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)cc1.
What is the InChIKey of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SBFLGTWEYXMMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-12(21)18-16-17-11-15(25-16)26(22,23)20-9-7-19(8-10-20)13-3-5-14(24-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 42560681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).