N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

C22H19F3N4O3S — CID 39192369

IUPACN-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O3S/c23-22(24,25)16-8-6-15(7-9-16)19(31)27-11-10-26-18(30)12-17-13-33-21(28-17)29-20(32)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,26,30)(H,27,31)(H,28,29,32)
InChIKeySCNJAMVUDXGEJR-UHFFFAOYSA-N
MW476.48 g/mol
LogP3.50
Rot. Bonds8

About N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 39192369) has the molecular formula C22H19F3N4O3S and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID39192369
Molecular FormulaC22H19F3N4O3S
Molecular Weight476.48 g/mol
Exact Mass476.11
IUPAC NameN-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O3S/c23-22(24,25)16-8-6-15(7-9-16)19(31)27-11-10-26-18(30)12-17-13-33-21(28-17)29-20(32)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,26,30)(H,27,31)(H,28,29,32)
InChIKeySCNJAMVUDXGEJR-UHFFFAOYSA-N
XLogP3.50
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18137460
N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide (CID 39192369) is N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SCNJAMVUDXGEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3S/c23-22(24,25)16-8-6-15(7-9-16)19(31)27-11-10-26-18(30)12-17-13-33-21(28-17)29-20(32)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,26,30)(H,27,31)(H,28,29,32).
What are the key properties of N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 476.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 39192369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).