N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C20H16F3N3O5S2 — CID 55522837

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C20H16F3N3O5S2/c21-20(22,23)13-2-1-3-14(9-13)33(28,29)24-10-18(27)26-19-25-15(11-32-19)12-4-5-16-17(8-12)31-7-6-30-16/h1-5,8-9,11,24H,6-7,10H2,(H,25,26,27)
InChIKeyXFCWUFDAHZRCQC-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.52
Rot. Bonds6

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 55522837) has the molecular formula C20H16F3N3O5S2 and a molecular weight of 499.49 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID55522837
Molecular FormulaC20H16F3N3O5S2
Molecular Weight499.49 g/mol
Exact Mass499.05
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C20H16F3N3O5S2/c21-20(22,23)13-2-1-3-14(9-13)33(28,29)24-10-18(27)26-19-25-15(11-32-19)12-4-5-16-17(8-12)31-7-6-30-16/h1-5,8-9,11,24H,6-7,10H2,(H,25,26,27)
InChIKeyXFCWUFDAHZRCQC-UHFFFAOYSA-N
XLogP3.52
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17482470
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16832559
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605284
2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 2356872
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 18573175
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 22110326
3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 18560861
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175752
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55757969

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 55522837) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is XFCWUFDAHZRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O5S2/c21-20(22,23)13-2-1-3-14(9-13)33(28,29)24-10-18(27)26-19-25-15(11-32-19)12-4-5-16-17(8-12)31-7-6-30-16/h1-5,8-9,11,24H,6-7,10H2,(H,25,26,27).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 499.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 55522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).