N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

C18H18F3N3O3S — CID 56552808

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)13-3-1-4-15(11-13)22-12-17(25)23-14-5-7-16(8-6-14)24-9-2-10-28(24,26)27/h1,3-8,11,22H,2,9-10,12H2,(H,23,25)
InChIKeyQBPCKLYBKZJNDE-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.30
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552808) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552808
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)13-3-1-4-15(11-13)22-12-17(25)23-14-5-7-16(8-6-14)24-9-2-10-28(24,26)27/h1,3-8,11,22H,2,9-10,12H2,(H,23,25)
InChIKeyQBPCKLYBKZJNDE-UHFFFAOYSA-N
XLogP3.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 121054557
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 17497673
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54834910
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552548
3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552808) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QBPCKLYBKZJNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c19-18(20,21)13-3-1-4-15(11-13)22-12-17(25)23-14-5-7-16(8-6-14)24-9-2-10-28(24,26)27/h1,3-8,11,22H,2,9-10,12H2,(H,23,25).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 413.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).