2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C26H30N4O4S — CID 47074960

IUPAC2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(Cn2c(-c3ccc4c(c3)OCCO4)csc2=O)CC1
InChIInChI=1S/C26H30N4O4S/c1-18-4-3-5-19(2)25(18)27-24(31)15-28-8-10-29(11-9-28)17-30-21(16-35-26(30)32)20-6-7-22-23(14-20)34-13-12-33-22/h3-7,14,16H,8-13,15,17H2,1-2H3,(H,27,31)
InChIKeyQJNVADVMZDFDPR-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.18
Rot. Bonds6

About 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 47074960) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID47074960
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(Cn2c(-c3ccc4c(c3)OCCO4)csc2=O)CC1
InChIInChI=1S/C26H30N4O4S/c1-18-4-3-5-19(2)25(18)27-24(31)15-28-8-10-29(11-9-28)17-30-21(16-35-26(30)32)20-6-7-22-23(14-20)34-13-12-33-22/h3-7,14,16H,8-13,15,17H2,1-2H3,(H,27,31)
InChIKeyQJNVADVMZDFDPR-UHFFFAOYSA-N
XLogP3.18
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 51172206
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9445163
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-[[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 40817160
N-(2,6-dimethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)acetamide
CID 167289604
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9126769
N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 35951851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 47074960) is 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(Cn2c(-c3ccc4c(c3)OCCO4)csc2=O)CC1.
What is the InChIKey of 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QJNVADVMZDFDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-4-3-5-19(2)25(18)27-24(31)15-28-8-10-29(11-9-28)17-30-21(16-35-26(30)32)20-6-7-22-23(14-20)34-13-12-33-22/h3-7,14,16H,8-13,15,17H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 494.62 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-thiazol-3-yl]methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 47074960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).