4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

C16H22F3N3O3S — CID 55715963

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)CC(F)(F)F
InChIInChI=1S/C16H22F3N3O3S/c1-21(12-16(17,18)19)9-2-8-20-15(23)13-4-6-14(7-5-13)22-10-3-11-26(22,24)25/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyKDBMUHVRYIOHJO-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.84
Rot. Bonds7

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (PubChem CID 55715963) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
PubChem CID55715963
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)CC(F)(F)F
InChIInChI=1S/C16H22F3N3O3S/c1-21(12-16(17,18)19)9-2-8-20-15(23)13-4-6-14(7-5-13)22-10-3-11-26(22,24)25/h4-7H,2-3,8-12H2,1H3,(H,20,23)
InChIKeyKDBMUHVRYIOHJO-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 55693771
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937865
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
1-methylsulfonyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 46476297
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55692837
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 17497673

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (CID 55715963) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)CC(F)(F)F.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The InChIKey is KDBMUHVRYIOHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-21(12-16(17,18)19)9-2-8-20-15(23)13-4-6-14(7-5-13)22-10-3-11-26(22,24)25/h4-7H,2-3,8-12H2,1H3,(H,20,23).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide has a molecular weight of 393.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is sourced from PubChem (CID 55715963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).