(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide

C18H18N2O3S — CID 94608808

IUPAC(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-23-11-14-7-3-1-4-8-14)16-12-24-13-20(16)18(22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21)/t16-/m0/s1
InChIKeySJXXGSNRQOUYCJ-INIZCTEOSA-N
MW342.42 g/mol
LogP2.45
Rot. Bonds5

About (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide (PubChem CID 94608808) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
PubChem CID94608808
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-17(19-23-11-14-7-3-1-4-8-14)16-12-24-13-20(16)18(22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21)/t16-/m0/s1
InChIKeySJXXGSNRQOUYCJ-INIZCTEOSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.45
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

(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
dimethyl (2R,4R)-3-[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]-1,3-thiazolidine-2,4-dicarboxylate
CID 102242946

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide (CID 94608808) is (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide is O=C(NOCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide?
The InChIKey is SJXXGSNRQOUYCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(19-23-11-14-7-3-1-4-8-14)16-12-24-13-20(16)18(22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 94608808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).