(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide

C17H18N2O5S — CID 87971813

IUPAC(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c20-17(18-21)16-10-11-25(22,23)19(16)12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
InChIKeyASKDBRMHWPPMBU-MRXNPFEDSA-N
MW362.41 g/mol
LogP1.89
Rot. Bonds5

About (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide

(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide (PubChem CID 87971813) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide
PubChem CID87971813
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5S/c20-17(18-21)16-10-11-25(22,23)19(16)12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
InChIKeyASKDBRMHWPPMBU-MRXNPFEDSA-N
XLogP1.89
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-benzyl-1,1-dioxo-1,2-thiazolidine-3-carboxylate;methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 170316799
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
methyl 2-[[4-(3,5-dichlorophenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 11774323
(2S)-5-iodo-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 89010284
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide
CID 10273346
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
2-(cyclopropylmethylamino)-N-[(4-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 119725146
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide
CID 10110549

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide (CID 87971813) is (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide is O=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The InChIKey is ASKDBRMHWPPMBU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-17(18-21)16-10-11-25(22,23)19(16)12-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 87971813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).