N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide

C16H13F3N2O4S2 — CID 42570284

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide
SMILESO=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C16H13F3N2O4S2/c17-16(18,19)25-12-3-1-10(2-4-12)15-20-8-13(26-15)7-14(22)21-11-5-6-27(23,24)9-11/h1-6,8,11H,7,9H2,(H,21,22)/t11-/m1/s1
InChIKeyXUGUFYFFFDUIRK-LLVKDONJSA-N
MW418.42 g/mol
LogP2.68
Rot. Bonds5

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide (PubChem CID 42570284) has the molecular formula C16H13F3N2O4S2 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide
PubChem CID42570284
Molecular FormulaC16H13F3N2O4S2
Molecular Weight418.42 g/mol
Exact Mass418.03
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide
SMILESO=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C16H13F3N2O4S2/c17-16(18,19)25-12-3-1-10(2-4-12)15-20-8-13(26-15)7-14(22)21-11-5-6-27(23,24)9-11/h1-6,8,11H,7,9H2,(H,21,22)/t11-/m1/s1
InChIKeyXUGUFYFFFDUIRK-LLVKDONJSA-N
XLogP2.68
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide (CID 42570284) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide is O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide?
The InChIKey is XUGUFYFFFDUIRK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13F3N2O4S2/c17-16(18,19)25-12-3-1-10(2-4-12)15-20-8-13(26-15)7-14(22)21-11-5-6-27(23,24)9-11/h1-6,8,11H,7,9H2,(H,21,22)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide has a molecular weight of 418.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 42570284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).