(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide

C25H21F3N2O3S — CID 87077827

IUPAC(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1SCCN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N2O3S/c26-25(27,28)19-12-10-18(11-13-19)20-8-4-5-9-21(20)23(32)30-14-15-34-24(30)22(31)29-33-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,29,31)/t24-/m0/s1
InChIKeyUJVGEZSTZWBXQU-DEOSSOPVSA-N
MW486.52 g/mol
LogP5.14
Rot. Bonds6

About (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide

(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide (PubChem CID 87077827) has the molecular formula C25H21F3N2O3S and a molecular weight of 486.52 g/mol. Its IUPAC name is (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide
PubChem CID87077827
Molecular FormulaC25H21F3N2O3S
Molecular Weight486.52 g/mol
Exact Mass486.12
IUPAC Name(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1SCCN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H21F3N2O3S/c26-25(27,28)19-12-10-18(11-13-19)20-8-4-5-9-21(20)23(32)30-14-15-34-24(30)22(31)29-33-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,29,31)/t24-/m0/s1
InChIKeyUJVGEZSTZWBXQU-DEOSSOPVSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate
CID 66619979
(2S,3S)-3-azido-N-phenylmethoxy-1-[2-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 91172577
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 111560971
2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 7288367
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
N-[[4-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 102560421
7-[2-[4-(trifluoromethyl)phenyl]benzoyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 139006280
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
N-benzyl-2-[1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208888
benzyl N-[[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599100
[1-carbamoyl-2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 57068636

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide?
The IUPAC name of (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide (CID 87077827) is (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide is O=C(NOCc1ccccc1)[C@@H]1SCCN1C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide?
The InChIKey is UJVGEZSTZWBXQU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21F3N2O3S/c26-25(27,28)19-12-10-18(11-13-19)20-8-4-5-9-21(20)23(32)30-14-15-34-24(30)22(31)29-33-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,29,31)/t24-/m0/s1.
What are the key properties of (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide?
(2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenylmethoxy-3-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 87077827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).