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

C17H18N2O4S — CID 10269131

IUPAC(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
InChIKeyCMALBPMZEURNBK-MRXNPFEDSA-N
MW346.41 g/mol
LogP1.76
Rot. Bonds4

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

(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide (PubChem CID 10269131) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide
PubChem CID10269131
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m1/s1
InChIKeyCMALBPMZEURNBK-MRXNPFEDSA-N
XLogP1.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide (CID 10269131) is (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide is O=C(NO)[C@H]1CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The InChIKey is CMALBPMZEURNBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(18-21)16-10-11-24(22,23)19(16)12-13-6-8-15(9-7-13)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-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide?
(3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10269131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).