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

C18H20N2O5S — CID 10156375

IUPACN-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
InChIKeyRNCWXNOSFWYLTA-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.77
Rot. Bonds5

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

N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 10156375) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID10156375
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCOc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
InChIKeyRNCWXNOSFWYLTA-UHFFFAOYSA-N
XLogP1.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 10156375) is N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is COc1ccc(-c2ccc(CN3C(C(=O)NO)CCS3(=O)=O)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is RNCWXNOSFWYLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21).
What are the key properties of N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10156375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).